Articles in internationally reviewed scientific journals

Ceulemans, A., Lijnen, E., Fowler, P., Mallion, R., Pisanski, T. (2012). S5 graphs as model systems for icosahedral Jahn-Teller problems. Theoretical Chemistry Accounts, 131, art.nr. DOI 10.1007/s00214-012-1246-3, 1246 (IF most recent : 2.16).

Ceulemans, A., Lijnen, E., Fowler, P., Mallion, R., Pisanski, T. (2012). Graph Theory and the Jahn-Teller Theorem. Proceedings of the Royal Society of London A, Mathematical, Physical and Engineering Sciences, 468(2140), 971-989 (IF most recent : 1.97).

Vancoillie, S., Hendrickx, M., Nguyen, M., Pierloot, K., Ceulemans, A., Mack, J., Kobayashi, N. (2012). Fourteen-Electron Ring Model and the Anomalous Magnetic Circular Dichroism of meso-Triarylsubporphyrins. Journal of Physical Chemistry A, 116(15), 3960-3967 (citations : 0) (IF most recent : 2.95).

Maiti, M., Michielssens, S., Dyubankova, N., Maiti, M., Lescrinier, E., Ceulemans, A., Herdewijn, P. (2012). Influence of the nucleobase and anchimeric assistance of the carboxyl Acid groups in the hydrolysis of amino Acid nucleoside phosphoramidates. Chemistry - a European Journal, 18(3), art.nr. 10.1002/chem.201102279, 857-68 (citations : 0) (IF most recent : 5.93).

Maiti, M., Siegmund, V., Abramov, M., Lescrinier, E., Rosemeyer, H., Froeyen, M., Ramaswamy, A., Ceulemans, A., Marx, A., Herdewijn, P. (2012). Solution structure and conformational dynamics of deoxyxylonucleic acids (dXNA): An orthogonal nucleic acid candidate. Chemistry - a European Journal, 18(3), art.nr. 10.1002/chem.201102509, 869-79 (citations : 1) (IF most recent : 5.93).

Michielssens, S., Maiti, M., Maiti, M., Dyubankova, N., Herdewijn, P., Ceulemans, A. (2012). Reactivity of amino Acid nucleoside phosphoramidates: a mechanistic quantum chemical study. Journal of Physical Chemistry A, 116(1), 644-52 (citations : 0) (IF most recent : 2.95).

Michielssens, S., Van Erp, T., Kutzner, C., Ceulemans, A., De Groot, B. (2012). Molecular Dynamics in Principal Component Space. Journal of Physical Chemistry B, 116(29), 8350-8354 (IF most recent : 3.7).

Truong, B., Ceulemans, A., Nguyen, M. (2012). Disk aromaticity of the planar and fluxional anionic boron clusters B₂₀^-/2-. Chemistry - a European Journal, 18, 4510-4512 (IF most recent : 5.93).

Bean, D., Tshishimbi Muya, J., Fowler, P., Nguyen, M., Ceulemans, A. (2012). Ring Currents in Boron and Carbon Buckyballs, B₈₀ and C₆₀. Physical Chemistry Chemical Physics, 13, 20855-20862 (IF most recent :3.57).

Tshishimbi Muya, J., Sato, T., Nguyen, M., Ceulemans, A. (2012). Pseudo Jahn-Teller Origin of Icosahedral Instability in Boron Buckyball, B80. Chemical Physics Letters, 543, 111-116 (IF most recent : 2.34).

Hu, G., Michielssens, S., Moors, S., Ceulemans, A. (2012). The harmonic analysis of cylindrically symmetric proteins: a comparison of Dronpa and a DNA sliding clamp. Journal of Molecular Graphics & Modelling, 34, 28-37 (citations : 0) (IF most recent : 2.18).

Hu, G., Qiu, W., Ceulemans, A. (2011). A New Euler's Formula for DNA Polyhedra. PLoS One, 6(10), art.nr. e26308 (citations : 0) (IF publication year : 4.09) (IF most recent : 4.09).

Hu, G., Michielssens, S., Moors, S., Ceulemans, A. (2011). Normal mode analysis of trp RNA-binding attenuation protein: structure and collective motions. Journal of Chemical Information and Modeling, 51(9), 2361-2371 (citations : 1) (IF publication year : 4.68) (IF most recent : 4.68).

Moors, S., Vos, A., Cummings, M., Van Vlijmen, H., Ceulemans, A. (2011). Structure-Based Site of Metabolism Prediction for Cytochrome P450 2D6. Journal of Medicinal Chemistry, 54(17), 6098-6105 (citations : 8) (IF publication year : 5.25) (IF most recent : 5.25).

Tshishimbi Muya, J., De Proft, F., Geerlings, P., Nguyen, M., Ceulemans, A. (2011). Theoretical Study on the Regioselectivity of the B(80) Buckyball in Electrophilic and Nucleophilic Reactions Using DFT-Based Reactivity Indices. Journal of Physical Chemistry A, 115(32), 9069-9080 (citations : 2) (IF publication year : 2.95) (IF most recent : 2.95).

Michielssens, S., Moors, S., Froeyen, M., Herdewijn, P., Ceulemans, A. (2011). Structural basis for the role of LYS220 as proton donor for nucleotidyl transfer in HIV-1 reverse transcriptase. Biophysical Chemistry, 157(1-3), 1-6 (citations : 1) (IF publication year : 2.2) (IF most recent : 2.2).

Ceulemans, A., Tshishimbi Muya, J., Gopakumar, G., Nguyen, M. (2011). The Leapfrog Principle for Boron Fullerenes: A Theoretical Study of Structure and Stability of B112. Physical Chemistry Chemical Physics, 13(16), 7524-7533 (citations : 6) (IF publication year : 3.57) (IF most recent : 3.57).

Tshishimbi Muya, J., Lijnen, E., Nguyen, M., Ceulemans, A. (2011). Encapsulation of Small Base Molecules and Tetrahedral / Cubane-like Clusters of Groups V Atoms in the Boron Buckyball: A Density Functional Theory Study. Journal of Physical Chemistry A, 115(11), 2268-2280 (citations : 7) (IF publication year : 2.95) (IF most recent : 2.95).

Moors, S., Michielssens, S., Ceulemans, A. (2011). An improved replica exchange method for native state protein sampling. Journal of Chemical Theory and Computation, 7, 231-237 (citations : 4) (IF publication year : 5.22) (IF most recent : 5.22).

            Ramaswamy, A., Froeyen, M., Herdewijn, P., Ceulemans, A. (2010). Helical structure of xylose-DNA. Journal of the American Chemical Society, 132 (2), 587-595.

Wang, H., Michielssens, S., Moors, S., Ceulemans, A. (2009). Molecular Dynamics Study of Dipalmitoylphosphatidylcholine Lipid Layer Self-Assembly onto a Single-Walled Carbon Nanotube. Nano Research, 2 (12), 945-954.

Zvezdin, A., Kostyuchenko, V., Popov, A., Popkov, A., Ceulemans, A. (2009). Toroidal moment in the molecular magnet V-15. Physical review b, 80 (17), -.

Tshishimbi Muya, J., Nguyen, M., Ceulemans, A. (2009). Quantum Chemistry Study of Symmetric Methyne Subtitution Patterns in the Boron Buckyball. Chemical Physics Letters, 483 (1-3), 101-106.

Moors, S., Jonckheer, A., De Maeyer, M., Engelborghs, Y., Ceulemans, A. (2009). Tryptophan conformations associated with partial unfolding in Ribonuclease T1. Biophysical Journal, 97 (6), 1778-1786.

Michielssens, S., Nguyen, T., Froeyen, M., Herdewijn, P., Nguyen, M., Ceulemans, A. (2009). Hydrolysis of aspartic acid phosphoramidate nucleotides: a comparative quantum chemical study. Physical Chemistry Chemical Physics, 11 (33), 7274-7285.

Schouteden, K., Lijnen, E., Muzychenko, D., Ceulemans, A., Chibotaru, L., Lievens, P., Van Haesendonck, C. (2009). Study of the electronic properties of Au nanowires and Au nanoislands on Au(111) surfaces. Nanotechnology, 20 (39), art.nr. 395401.

Wang, H., Ceulemans, A. (2009). Physisorption of adenine DNA nucleosides on zigzag and armchair single-walled carbon nanotubes: A first-principles study. Physical Review B, Condensed Matter and Materials Physics, 79 (19), art.nr. 193406, -.

Yang, L., Pourtois, G., Caymax, M., Ceulemans, A., Heyns, M. (2009). Ge-H empirical potential and simulation of Si epitaxy on Ge(100) by chemical vapor deposition from SiH4. Physical Review B, Condensed Matter and Materials Physics, 79 (16), art.nr. 165312, -.

Moors, S., Jonckheer, A., De Maeyer, M., Engelborghs, Y., Ceulemans, A. (2008). How do rotameric conformations influence the time-resolved fluorescence of tryptophan in proteins? A perspective based on molecular modeling and quantum chemistry. Current Protein & Peptide Science, 9 (5), 427-446.

Ceulemans, A., Tshishimbi Muya, J., Gopakumar, G., Nguyen, M. (2008). Chemical Bonding in the Boron Buckyball. Chemical Physics Letters, 461 (4-6), 226-228.

Chibotaru, L., Ceulemans, A., Bolvin, H. (2008). Unique definition of the Zeeman-splitting g tensor of a Kramers doublet. Physical Review Letters, 101 (3), art.nr. 033003.

Tishchenko, O., Truhlar, D., Ceulemans, A., Nguyen, M. (2008). A Unified Perspective on the Hydrogen Atom Transfer and Proton-Coupled Electron transfer Mechanisms in Terms of Topographic Features of the Ground and Excited Potential Energy Surfaces as Exemplified by the Reaction Between Phenols and Radicals. Journal of the American Chemical Society, 130 (22), 7000-7010.

Moors, S., Michielssens, S., Flors, C., Dedecker, P., Hofkens, J., Ceulemans, A. (2008). How is cis-trans isomerization controlled in Dronpa mutants? A replica exchange molecular dynamics study. Journal of Chemical Theory and Computation, 4 (6), 1012-1020.

Compernolle, S., Pourtois, G., Soree, B., Magnus, W., Chibotaru, L., Ceulemans, A. (2008). Conductance of a copper-nanotube bundle interface: Impact of interface geometry and wave-function interference. Physical Review B, Condensed Matter and Materials Physics, 77 (19), art.nr. 193406.

Schouteden, K., Lijnen, E., Janssens, E., Ceulemans, A., Chibotaru, L., Lievens, P., Van Haesendonck, C. (2008). Confinement of surface state electrons in self-organized Co islands on Au(111). New journal of physics, 10, art.nr. 043016, 1-15.

Lijnen, E., Chibotaru, L., Ceulemans, A. (2008). Radial rescaling approach for the eigenvalue problem of a particle in an arbitrarily shaped box. Physical Review E, Statistical, Nonlinear and Soft Matter Physics, 77 (1), art.nr. 016702.

Gopakumar, G., Nguyen, M., Ceulemans, A. (2008). The Boron Buckyball has an Unexpected Th Symmetry. Chemical Physics Letters, 450 (4-6), 175-177.

Lijnen, E., Ceulemans, A., Fowler, P., Deza, M. (2007). The undecakisicosahedral group and a 3-regular carbon network of genus 26. Journal of Mathematical Chemistry, 42 (3), 617-644.

Van den Heuvel, W., Hendrickx, M., Ceulemans, A. (2007). A CASPT2 study of the electronic spectrum of hexacyanoosmate(III). Inorganic Chemistry, 46 (19), art.nr. 10.1021/ic7004612, 8032-8037.

Ceulemans, A., Lijnen, E., Qiu, Q. (2007). The GAMMA subscript9 x (g+2h) Jahn-Teller Hamiltonian. Journal of Molecular Structure, 838 (1-3), 3-7.

Sato, T., Chibotaru, L., Ceulemans, A. (2007). Analytical solutions for the Exe dynamic Jahn-Teller problem in the strong coupling limit. Journal of Molecular Structure, 838 (1-3), 8-12.

Ceulemans, A., Lijnen, E. (2007). The Jahn-Teller effect in chemistry. Bulletin of the Chemical Society of Japan, 80 (7), 1229-1240.

Chibotaru, L., Dao, V., Ceulemans, A. (2007). Thermodynamically stable non composite vortices in mesoscopic two-gap superconductors. Europhysics Letters, 78 (4), art.nr. 47001.

Sato, T., Ceulemans, A. (2007). Vibronic and spin-orbit coupling of a dsuperscript9 transition-metal ion encapsulated in an icosahedral cage: the (GAMMAsubscript8+GAMMAsubscript9) x (g+2h) Jahn-Teller problem. Journal of Chemical Physics, 126 (18), 184501-184509.

Clima, S., Hendrickx, M., Chibotaru, L., Soncini, A., Mironov, V., Ceulemans, A. (2007). Effect of the metal environment on the ferromagnetic interaction in the Co-NC-W pairs of octacyanotungstate(V)-cobalt(II) three-dimensional networks. Inorganic Chemistry, 46 (7), 2682-2690.

Ceulemans, A., Lijnen, E., Qiu, Q. (2007). Jahn and Tellers last case: the icosahedral sextet, gamma(9) x (g+2 h). Chemphyschem, 8 (1), 64-67.

Lijnen, E., Ceulemans, A. (2007). The permutational symmetry of the icosahedral orbital quintuplet and its implication for vibronic interactions. Europhysics Letters, 80 (6), art.nr. 67006, -.

Cojocaru, S., Barsan, V., Ceulemans, A. (2006). Spin excitations on finite lattices and the discrete Fourier transform. Journal of Magnetism and Magnetic Materials, 307 (1), 62-73.

Cojocaru, S., Barsan, V., Ceulemans, A. (2006). Exact solution of the discrete Schrodinger equation for ferromagnetic chains. Philosophical Magazine, 86 (32), 4983-4995.

Qiu, Q., Lijnen, E., Ceulemans, A. (2006). Construction of the GAMMAsubscript9 x (g=2h) Jahn Teller Hamiltonian. Molecular Physics, 104 (20-21), 3173-3185.

Compernolle, S., Chibotaru, L., Ceulemans, A. (2006). Vortices and their relation to ring currents and magnetic moments in nanographenes in high magnetic field. Journal of Physical Chemistry B, 110 (39), 19340-19351.

Carballeira, C., Teniers, G., Moshchalkov, V., Chibotaru, L., Ceulemans, A. (2006). Vortex states inside the superconducting phase of a thin microtriangle. Europhysics Letters, 75 (6), 936-942.

Compernolle, S., Chibotaru, L., Ceulemans, A. (2006). Novel type of magnetic response in carbon nanomaterials. Chemical Physics Letters, 428 (1-3), 119-124.

Moors, S., Hellings, M., De Maeyer, M., Engelborghs, Y., Ceulemans, A. (2006). Tryptophan rotamers as evidenced by X-ray, fluorescence lifetimes, and molecular dynamics modeling. Biophysical Journal, 91 (3), 816-823.

Cojocaru, S., Barsan, V., Ceulemans, A. (2006). Green’s function and excitation spectrum of finite lattices. Physica Status Solidi B, Basic Research, 243 (8), 1963-1977.

Carballeira, C., Moshchalkov, V., Chibotaru, L., Ceulemans, A. (2005). Multiquanta vortex entry and vortex-antivortex pattern expansion in a superconducting microsquare with a magnetic dot. Physical Review Letters, 95 (23), art.nr. 237003.

Lijnen, E., Ceulemans, A. (2005). Topology-aided molecular design: The platonic molecules of genera 0 to 3. Journal of Chemical Information and Modeling, 45 (6), 1719-1726.

Hendrickx, M., Clima, S., Chibotaru, L., Ceulemans, A. (2005). [Mo2(CN)11]:5- A detailed description of ligand-field spectra and magnetic properties by first-principles calculations. Journal of Physical Chemistry A, 109 (39), 8857-8864.

Travaly, Y., Schuhmacher, J., Baklanov, M., Giangrandi, S., Richard, O., Brijs, B., Van Hove, M., Maex, K., Abell, T., Somers, K., Hendrickx, M., Vanquickenborne, L., Ceulemans, A., Jonas, A. (2005). A theoretical and experimental study of atomic-layer-deposited films onto porous dielectric substrates. Journal of Applied Physics, 98 (8), 083515-1-083515-9.

Chibotaru, L., Ceulemans, A., Morelle, M., Teniers, G., Carballeira, C., Moshchalkov, V. (2005). Ginzburg-Landau description of confinement and quantization effects in mesoscopic superconductors. Journal of Mathematical Physics, 46 (9), art.nr. 095108.

Zhang, R., Somers, K., Kryachko, E., Nguyen, M., Zeegers-Huyskens, T., Ceulemans, A. (2005). Hydrogen bonding to pi-systems of indole and 1-methylindole: Is there any OH center dot center dot center dot phenyl. Journal of Physical Chemistry A, 109 (35), 8028-8034.

Zhang, R., Zeegers-Huyskens, T., Ceulemans, A., Nguyen, M. (2005). Interaction of triplet uracil and thymine with water. Chemical Physics, 316 (1-3), 35-44.

Chibotaru, L., Hendrickx, M., Clima, S., Larionova, J., Ceulemans, A. (2005). Magnetic anisotropy of [Mo(CN)7]4- anions and fragments of cyano-bridged magnetic networks. Journal of Physical Chemistry A, 109 (32), 7251-7257.

Tishchenko, O., Vinckier, C., Ceulemans, A., Nguyen, M. (2005). Theoretical study on the group 2 atoms + N2O reactions. Journal of Physical Chemistry A, 109 (27), 6099-6103.

Muranaka, A., Matsumoto, Y., Uchiyama, M., Jiang, J., Bian, Y., Ceulemans, A., Kobayashi, N. (2005). Definitive assignments of the visible-near-IR bands of porphyrin-naphthalocyanine rare-earth sandwich double- and triple-decker compounds by magnetic circular dichroism spectroscopy. Inorganic Chemistry, 44 (11), 3818-3826.

Compernolle, S., Ceulemans, A. (2005). pi electronic structure of octahedral trivalent cages consisting of hexagons and squares. Physical Review B, Condensed Matter and Materials Physics, 71 (20), -.

Compernolle, S., Ceulemans, A. (2005). Frontier orbitals of trivalent cages: (3,6) cages and (4,6) cages. Journal of Physical Chemistry A, 109 (11), 2689-2697.

Zhang, R., Ceulemans, A., Nguyen, M. (2005). A theoretical study of uracil and its tautomers in their lowest-lying triplet state. Molecular Physics, 103 (6-8), 983-994.

Zhang, R., Nguyen, M., Ceulemans, A. (2005). A concerted mechanism of proton transfer in green fluorescent protein. A theoretical study. Chemical Physics Letters, 404 (4-6), 250-256.

Sato, T., Chibotaru, L., Ceulemans, A. (2005). The E circle times e dynamic Jahn-Teller problem: A new insight from the strong coupling limit. Journal of Chemical Physics, 122 (5), art.nr. 054104.

Lijnen, E., Ceulemans, A. (2005). Berry phase and entanglement in the icosahedral H circle times(g circle plus 2h) Jahn-Teller system with trigonal minima. Physical Review B, Condensed Matter and Materials Physics, 71 (1), -.

Chibotaru, L., Teniers, G., Ceulemans, A., Moshchalkov, V. (2004). Pseudo Jahn-Teller mechanism for symmetry-breaking phase transitions in vortex molecules. Physical Review B, Condensed matter and materials physics, 70 (9), art.nr. 094505.

Compernolle, S., Kiran, B., Chibotaru, L., Nguyen, M., Ceulemans, A. (2004). Ab initio study of small graphitic cones with triangle, square, and pentagon apex. Journal of Chemical Physics, 121 (5), 2326-2336.

Hendrickx, M., Mironov, V., Chibotaru, L., Ceulemans, A. (2004). Assignment of the electronic spectra of [Mo(CN)(8)](4)(-) and [W(CN)(8)](4)(-) by Ab initio calculations. Inorganic Chemistry, 43 (10), 3142-50.

Somers, K., Ceulemans, A. (2004). Absorption and fluorescence of 3-methylindole: A theoretical study, including H2O interactions. Journal of Physical Chemistry A, 108 (37), 7577-7583.

Ceulemans, A., Lijnen, E., Ceulemans, L., Fowler, P. (2004). The tetrakisoctahedral group of the Dyck graph and its molecular realization. Molecular physics, 102 (11-12), 1149-1163.

Muranaka, A., Okuda, M., Kobayashi, N., Somers, K., Ceulemans, A. (2004). Recognition of chiral catechols using oxo-titanium phthalocyanine. Journal of the American Chemical Society, 126 (14), 4596-4604.

Somers, K., Kruger, P., Bucikiewicz, S., De Maeyer, M., Engelborghs, Y., Ceulemans, A. (2004). Protein simulations: The absorption spectrum of barnase point mutants. Protein science, 13 (7), 1823-1831.

Kobayashi, N., Yokoyama, M., Muranaka, A., Ceulemans, A. (2004). Formation of silicon triazacorrole and tetrabenzotriazacorrole by the ring contraction of the corresponding tetraazaporphyrin ligands. Tetrahedron letters, 45 (8), 1755-1758.

Somers, K., Kryachko, E., Ceulemans, A. (2004). Azonine, a “nearly” forgotten aromatic molecule. Journal of Physical Chemistry A, 108 (18), 4059-4068.

Somers, K., Kryachko, E., Ceulemans, A. (2004). Theoretical study of indole: Protonation, indolyl radical, tautomers of indole, and its interaction with water. Chemical physics, 301 (1), 61-79.

Ceulemans, A., Compernolle, S., Lijnen, E. (2004). Hiatus in the spherical shell model of fullerenes. Physical chemistry chemical physics, 6 (2), 238-241.

Lijnen, E., Ceulemans, A. (2004). Oriented 2-cell embeddings of a graph and their symmetry classification: Generating algorithms and case study of the Mobius-Kantor graph graph. Journal of chemical information and computer sciences, 44 (5), 1552-1564.

Borovkov, V., Fujii, I., Muranaka, A., Hembury, G., Tanaka, T., Ceulemans, A., Kobayashi, N., Inoue, Y. (2004). Rationalization of supramolecular chirality in a bisporphyrin system. Angewandte Chemie - International Edition, 43 (41), 5481-5485.

Nguyen, M., Zhang, R., Nam, P., Ceulemans, A. (2004). Singlet-triplet energy gaps of gas-phase RNA and DNA bases. A quantum chemical study. Journal of Physical Chemistry A, 108 (31), 6554-6561.

Mironov, V., Chibotaru, L., Ceulemans, A. (2003). First-order phase transition in UO2: The interplay of the 5f(2)-5f(2) superexchange interaction and Jahn-Teller effect. Advances in quantum chemistry, 44, 599-616.

Chibotaru, L., Compernolle, S., Ceulemans, A. (2003). Electron transmission through atom-contacted carbon nanotubes. Physical Review B, Condensed matter and materials physics, 68 (12), art.nr. 125412.

Compernolle, S., Chibotaru, L., Ceulemans, A. (2003). Eigenstates and transmission coefficients of finite-sized carbon nanotubes. Journal of Chemical Physics, 119 (5), 2854-2873.

Mironov, V., Chibotaru, L., Ceulemans, A. (2003). Mechanism of a strongly anisotropic Mo-III-CN-Mn-II spin-spin coupling in molecular magnets based on the [Mo(CN)(7)](4-) heptacyanometalate: A new strategy for single-molecule magnets with high blocking temperatures. Journal of the American Chemical Society, 125 (32), 9750-9760.

Teniers, G., Chibotaru, L., Ceulemans, A., Moshchalkov, V. (2003). Nucleation of superconductivity in a mesoscopic rectangle. Europhysics letters, 63 (2), 296-302.

Chibotaru, L., Ceulemans, A., Lorenzini, M., Moshchalkov, V. (2003). Vorticity quantum numbers for confined electrons. Europhysics letters, 63 (2), 159-165.

Teniers, G., Moshchalkov, V., Chibotaru, L., Ceulemans, A. (2003). Vortex-antivortex patterns in mesoscopic superconductors. Physica. B, Condensed matter, 329, 1340-1343.

Hendrickx, M., Mironov, V., Chibotaru, L., Ceulemans, A. (2003). An ab initio study of the ligand field and charge-transfer transitions of Cr(CN)(6)(3-) and Mo(CN)(6)(3-). Journal of the American Chemical Society, 125 (13), 3694-3695.

Mironov, V., Chibotaru, L., Ceulemans, A. (2003). Exchange interaction in the YbCrBr93- mixed dimer: The origin of a strong Yb3+-Cr3+ exchange anisotropy. Physical Review B, Condensed matter and materials physics, 67 (1), art.nr. 014424.

Cojocaru, S., Ceulemans, A. (2003). Size-dependent magnon modes of a Heisenberg ferromagnet. Europhysics letters, 61 (6), 838-844.

Cojocaru, S., Ceulemans, A. (2003). Exact solution for spin-orbiton excitations on a ferromagnetically ordered finite chain. Physical review b, 67 (22), -.

Lijnen, E., Ceulemans, A. (2003). Embedding of the K-10 graph on a surface with seven cross-caps and the icosahedral H circle times 2h Jahn-Teller surface. Advances in quantum chemistry, vol 44, 44, 183-198.

Somers, K., Kryachko, E., Ceulemans, A. (2003). Theoretical study of alkali metal pyrrolides in comparison with nH-pyrrole. Journal of Physical Chemistry A, 107 (28), 5427-5438.

Hendrickx, M., Chibotaru, L., Ceulemans, A. (2002). The electronic structure and spectrum of Mo(CN)(8)(3-). Inorganic Chemistry, 42 (2), 590-597.

Chibotaru, L., Bovin, S., Ceulemans, A. (2002). Bend-induced insulating gap in carbon nanotubes. Physical Review B, Condensed matter and materials physics, 66 (16), art.nr. 161401.

Chibotaru, L., Ceulemans, A., Teniers, G., Bruyndoncx, V., Moshchalkov, V. (2002). Vector potential gauge for superconducting regular polygons. The European physical journal. B: Condensed matter physics, 27 (3), 341-346.

Morelle, M., Teniers, G., Chibotaru, L., Ceulemans, A., Moshchalkov, V. (2002). Nucleation of superconductivity in a mesoscopic triangle. Physica. C, Superconductivity, 369 (1-4), 351-355.

Chibotaru, L., Ceulemans, A., Teniers, G., Moshchalkov, V. (2002). Nucleation of superconductivity in regular polygons: superconducting vector potential gauge approach. Physica. C, Superconductivity, 369 (1-4), 149-157.

Ceulemans, A., Compernolle, S., Delabie, A., Somers, K., Chibotaru, L., Fowler, P., Marganska, M., Szopa, M. (2002). Electronic structure of polyhedral carbon cages consisting of hexagons and triangles. Physical Review B, Condensed matter and materials physics, 65 (11), art.nr. 115412.

Qiu, Q., Ceulemans, A. (2002). Icosahedral symmetry adaptation of vertical bar JM > bases. Molecular physics, 100 (2), 255-264.

Ceulemans, A., Lijnen, E. (2002). The polyhedral state of molecular matter. European journal of inorganic chemistry (7), 1571-1581.

Cojocaru, S., Ceulemans, A. (2002). Magnon excitations in a mesoscopic Heisenberg ferromagnet. Physical review b, 66 (22), -.

Mironov, V., Galyametdinov, Y., Ceulemans, A., Görller-Walrand, C., Binnemans, K. (2002). Room-temperature magnetic anisotropy of lanthanide complexes: A model study for various coordination polyhedra. Journal of Chemical Physics, 116 (11), 4673-4685.

Qiu, Q., Chibotaru, L., Ceulemans, A. (2001). Product Jahn-Teller systems: The { T-1 circle times H} circle times(g+2h) icosahedral exciton. Physical Review B, Condensed matter and materials physics, 65 (3), art.nr. 035104.

Chibotaru, L., Mironov, V., Ceulemans, A. (2001). Origin of ferromagnetism in cyano-bridged compounds containing d(1) octacyanometallates. Angewandte Chemie (International ed.), 40 (23), 4429-4433.

Ceulemans, A., Titeca, B., Chibotaru, L., Vos, I., Fowler, P. (2001). Complete bond force fields for trivalent and deltahedral cages: Group theory and applications to cubane, closo-dodecaborane, and buckminsterfullerene. Journal of Physical Chemistry A, 105 (36), 8284-8295.

Ceulemans, A., Cojocaru, S., Chibotaru, L. (2001). Finite size corrections within the continuum limit for quantum spins: two-magnon bound states in 1D Heisenberg ferromagnet. The European physical journal. B: Condensed matter physics, 21 (4), 511-519.

Chibotaru, L., Ceulemans, A., Bruyndoncx, V., Moshchalkov, V. (2001). Vortex entry and nucleation of antivortices in a mesoscopic superconducting triangle. Physical Review Letters, 86 (7), 1323-1326.

Bovin, S., Chibotaru, L., Ceulemans, A. (2001). The quantum structure of carbon tori. Journal of molecular catalysis. A: Chemical, 166 (1), 47-52.

Braun, D., Titeca, B., Ceulemans, A. (2001). The vibronic fine structure of the emission spectrum of silicon phthalocyanine. Journal of porphyrins and phthalocyanines, 5 (1), 33-43.

Mironov, V., Galyametdinov, Y., Ceulemans, A., Görller-Walrand, C., Binnemans, K. (2001). Influence of crystal-field perturbations on the room-temperature magnetic anisotropy of lanthanide complexes. Chemical Physics Letters, 345 (1-2), 132-140.

Chibotaru, L., Ceulemans, A., Bruyndoncx, V., Moshchalkov, V. (2000). Symmetry-induced formation of antivortices in mesoscopic superconductors. Nature, 408 (6814), 833-835.

Ceulemans, A., Chibotaru, L., Bovin, S., Fowler, P. (2000). The electronic structure of polyhex carbon tori. Journal of Chemical Physics, 112 (9), 4271-4278.

Fowler, P., Ceulemans, A., Chibotaru, L. (2000). Eigenvalues of Huckel systems of equivalent points. Discrete mathematics, 212 (1-2), 75-90.

Ceulemans, A., Chibotaru, L., Heylen, G., Pierloot, K., Vanquickenborne, L. (2000). Theoretical models of exchange interactions in dimeric transition-metal complexes. Chemical reviews, 100 (2), 787-806.

Ceulemans, A., Qiu, Q. (2000). Product Jahn-Teller systems: The { T-1 circle times T-2} circle times(e+t(2)) case. Physical review b, 61 (16), 10628-10639.

Pierloot, K., Ceulemans, A., Merchan, M., Serrano-Andres, L. (2000). Electronic spectra of the cyclometalated complexes M(2-thienylpyridine)(2) with M = Pd, Pt: A theoretical study. Journal of Physical Chemistry A, 104 (19), 4374-4382.

Mironov, V., Galyametdinov, Y., Ceulemans, A., Binnemans, K. (2000). On the magnetic anisotropy of lanthanide-containing metallomesogens. Journal of Chemical Physics, 113 (22), 10293-10303.

Chibotaru, L., Ceulemans, A., Cojocaru, S. (1999). Electronic structure of A(4)C(60): Joint effect of electron correlation and vibronic interactions. Physical Review B, Condensed matter, 59 (20), R12728-R12731.

Ceulemans, A., Chibotaru, L., Fowler, P., Szopa, M. (1999). Symmetry extensions of Euler’s polyhedral theorem and the band theory of solids. Journal of Chemical Physics, 110 (14), 6916-6926.

Ceulemans, A., King, R., Bovin, S., Rogers, K., Troisi, A., Fowler, P. (1999). The heptakisoctahedral group and its relevance to carbon allotropes with negative curvature. Journal of mathematical chemistry, 26 (1), 101-123.

Ceulemans, A., Chibotaru, L., Heylen, G., Pierloot, K. (1999). Exchange interactions in Ti2Cl93- and the magnetic susceptibility tensor. Molecular physics, 97 (11), 1197-1202.

Ribbing, C., Gilliams, B., Ceulemans, A., Pierloot, K., Vandenbroucke, D., Roos, B. (1999). Spectroscopy, resolution, and ab initio calculation of vibronic fine structure in the optical absorption of Rh(III) doped in NaCl. Journal of Chemical Physics, 110 (14), 6849-6857.

Kobayashi, N., Higashi, R., Titeca, B., Lamote, F., Ceulemans, A. (1999). Substituent-induced circular dichroism in phthalocyanines. Journal of the American Chemical Society, 121 (51), 12018-12028.

Ceulemans, A., Chibotaru, L., Fowler, P. (1998). Molecular anapole moments. Physical Review Letters, 80 (9), 1861-1864.

Ribbing, C., Pierloot, K., Ceulemans, A. (1998). Ab initio calculations of the trigonal and zero-field splittings in trischelated diketonato complexes of trivalent chromium. Inorganic Chemistry, 37 (20), 5227-5232.

Ceulemans, A., Chibotaru, L., Cimpoesu, F. (1997). Intramolecular charge disproportionation and the band structure of A(3)C(60) superconductors. Physical Review Letters, 78 (19), 3725-3728.

Ribbing, C., Dumez, B., Ceulemans, A., Pierloot, K. (1997). On the possibility of a pseudo atomic ground state for CrF2: Ab initio and crystal field calculations including spin-orbit coupling. Journal of Physical Chemistry A, 101 (32), 5813-5817.

Szopa, M., Ceulemans, A. (1997). The canonical form of the E circle times epsilon Jahn-Teller Hamiltonian. Journal of Physics A. Mathematical and General, 30 (4), 1295-1302.

Ceulemans, A., Heylen, G., Chibotaru, L., Maes, T., Pierloot, K., Ribbing, C., Vanquickenborne, L. (1996). Exchange interactions in Ti2Cl9(3-): A critical analysis. Inorganica Chimica Acta incorporating f-Block elements, 251 (1-2), 15-27.

Ceulemans, A., Chibotaru, L. (1996). Isostationary functions for multimode and multilevel Jahn-Teller systems. Theoretica chimica acta, 94 (4), 205-212.

Chibotaru, L., Ceulemans, A. (1996). Orbital disproportionation of conduction-electron density in cubic lattices with threefold degenerate site orbitals. Physical Review B, Condensed matter, 53 (23), 15522-15528.

Ceulemans, A., Chibotaru, L. (1996). Icosahedral T-1u+T-1g Jahn-Teller problem. Physical Review B, Condensed matter, 53 (5), 2460-2462.

Ceulemans, A., Szopa, M., Fowler, P. (1996). Homology groups, symmetry representations and polyhedral clusters. Europhysics letters, 36 (9), 645-649.

Ceulemans, A., Vandenberghe, G. (1996). Fourth-order contributions to the F-7(6)->D-5(4) two-photon transition of Tb3+ in a cubic lattice. Physical review b, 53 (13), 8310-8315.

Green, W., Gorun, S., Fitzgerald, G., Fowler, P., Ceulemans, A., Titeca, B. (1996). Electronic structures and geometries of C-60 anions via density functional calculations. Journal of physical chemistry, 100 (36), 14892-14898.

Fowler, P., Rassat, A., Ceulemans, A. (1996). Symmetry generalisation of the Euler-Schlafli theorem for multi-shell polyhedra. Journal of the chemical society-faraday transactions, 92 (24), 4877-4884.

Szopa, M., Mys, G., Ceulemans, A. (1996). The canonical form of the Rabi Hamiltonian. Journal of mathematical physics, 37 (11), 5402-5411.

Fowler, P., Ceulemans, A. (1995). Electron deficiency of the fullerenes. Journal of physical chemistry, 99 (2), 508-510.

Ceulemans, A., Fowler, P. (1995). Symmetry extensions of eulers theorem for polyhedral, toroidal and benzenoid molecules. Journal of the chemical society-faraday transactions, 91 (18), 3089-3093.

Braun, D., Ceulemans, A. (1995). Complete density-functional normal-coordinate analysis of dichlorosilicon porphyrazine. Journal of physical chemistry, 99 (28), 11101-11114.

Ceulemans, A., Vandenberghe, G. (1995). 3rd-order and 4th-order analysis of orbit-forbidden and spin-forbidden transitions in 2-photon spectroscopy of lanthanide compounds (vol 98, pg 9372, 1993). Journal of Chemical Physics, 102 (19), 7762-7762.

Ceulemans, A., Fowler, P., Vos, I. (1994). C-60 vibrates as a hollow sphere. Journal of Chemical Physics, 100 (8), 5491-5500.

Ceulemans, A., Mys, G. (1994). The vector particle of tensor surface harmonic theory. Chemical Physics Letters, 219 (3-4), 274-278.

Ceulemans, A., Vandenberghe, G. (1994). 4th-order contributions to the s-8(7/2)-]i-6(17/2) 2-photon transition of gd3+ in a cubic lattice. Journal of alloys and compounds, 207, 102-106.

Braun, D., Ceulemans, A., Dick, B., Konami, H. (1994). Spectral hole-burning on silicon phthalocyanines isolated in an argon matrix. Chemical Physics Letters, 225 (4-6), 398-403.

Ceulemans, A. (1994). The doublet states in chromium(iii) complexes - a shell-theoretic view. Electronic and vibronic spectra of transition metal complexes i, 171, 27-67.

Ceulemans, A., Debuyst, R., Dejehet, F., Janssen, P., Vanquickenborne, L. (1994). Influence of axial coordination on the g-factor anisotropy of the tetraimine macrocyclic cobalt(ii) complex [co(c10h20n8)cl(h2o)]cl-center-dot-h2o. Inorganic Chemistry, 33 (14), 3188-3190.

Ceulemans, A., Goijens, G., Nguyen, M. (1994). C2b7h9 - snapshots of a rearranging carborane. Journal of the American Chemical Society, 116 (20), 9395-9396.

Fowler, P., Ceulemans, A. (1993). Spin-orbit-coupling coefficients for icosahedral molecules. Theoretica chimica acta, 86 (4), 315-342.

Ceulemans, A., Vandenberghe, G. (1993). 3rd-order and 4th-order analysis of orbit-forbidden and spin-forbidden transitions in 2-photon spectroscopy of lanthanide compounds. Journal of Chemical Physics, 98 (12), 9372-9378.

Ceulemans, A., Mys, G., Walcerz, S. (1993). Symmetries of time-odd electron-phonon coupling in the cubic gamma-8 system. New journal of chemistry, 17 (1-2), 131-136.

Ceulemans, A., Fowler, P. (1992). Bonding in ti8c12 and the substitutional jahn-teller effect. Journal of the chemical society-faraday transactions, 88 (18), 2797-2798.

Hendrickx, M., Berghmans, E., Ceulemans, A., Vanquickenborne, L. (1992). On the geometrical and electronic-structure of the hexahydroxochromate(iii) anion. Journal of the chemical society-dalton transactions (2), 281-283.

Ceulemans, A., Debuyst, R., Dejehet, F., King, G., Vanhecke, M., Vanquickenborne, L. (1992). Orthorhombic symmetry components in the ligand-field of a macrocyclic tetraimine copper(ii) complex. Inorganica Chimica Acta, 192 (1), 95-105.

Ceulemans, A., Coninckx, B., Vanhecke, M., Zeegershuyskens, T., King, G. (1992). Crystal-structure of [co(c10h20n8)cl(h2o)]cl.h2o and ft-ir study (4000-50 cm-1) of some related cu(ii), ni(ii) and co(ii) macrocyclic tetraimine complexes. Inorganica Chimica Acta, 202 (1), 101-109.

Vanquickenborne, L., Coussens, B., Postelmans, D., Ceulemans, A., Pierloot, K. (1992). Photochemistry of Chromium(III) ammine compounds - an ab initio study. Inorganic Chemistry, 31 (4), 539-547.

Ceulemans, A., Vos, I. (1991). The vibrations of annular and globular molecules - theory. Molecular physics, 72 (5), 1051-1080.

Vanquickenborne, L., Coussens, B., Postelmans, D., Ceulemans, A., Pierloot, K. (1991). Electronic structure of Cr(NH3)6(3+) and substituted chromium(iii) ammine compounds. Inorganic Chemistry, 30 (15), 2978-2986.

Ceulemans, A., Szopa, M. (1991). The berry phase for a threefold degenerate state. Journal of Physics A. Mathematical and General, 24 (19), 4495-4509.

Ceulemans, A., Fowler, P. (1991). Extension of euler theorem to symmetry properties of polyhedra. Nature, 353 (6339), 52-54.

Ceulemans, A. (1991). The permutational isomerism of jahn-teller wheels. Polyhedron, 10 (13), 1587-1589.

Vanquickenborne, L., Ceulemans, A., Hendrickx, M., Pierloot, K. (1991). Recent theoretical developments in photochemistry. Coordination chemistry reviews, 111, 175-192.

Gorllerwalrand, C., Fluyt, L., Ceulemans, A., Carnall, W. (1991). Magnetic dipole transitions as standards for judd-ofelt parametrization in lanthanide spectra. Journal of Chemical Physics, 95 (5), 3099-3106.

Ceulemans, A., Vanquickenborne, L. (1990). The coordination of pi-conjugated bidentate ligands. Pure and applied chemistry, 62 (6), 1081-1086.

Ceulemans, A., Debuyst, R., Dejehet, F., King, G., Vanhecke, M., Vanquickenborne, L. (1990). Orbital symmetry control and g-factor anisotropy in a low-spin macrocyclic cobalt(ii) complex. Journal of physical chemistry, 94 (1), 105-113.

Ceulemans, A., Fowler, P. (1990). The jahn-teller instability of fivefold degenerate states in icosahedral molecules. Journal of Chemical Physics, 93 (2), 1221-1234.

Ceulemans, A., Bongaerts, N. (1990). The dynamic crystal-field model of selective vibronic coupling in d-d spectra. Theoretica chimica acta, 77 (2), 85-109.

Ceulemans, A., Vanquickenborne, L. (1989). The epikernel principle. Structure and bonding, 71, 125-159.

Ceulemans, A., Fowler, P. (1989). So(4) symmetry and the static jahn-teller effect in icosahedral molecules. Physical Review A, Atomic, Molecular and Optical Physics, 39 (2), 481-493.

Ceulemans, A., Coninckx, B., Gorllerwalrand, C., Jacobs, H., Bock, J. (1988). The ligand-field spectrum of k3[cr(oh)6]. Chemical Physics Letters, 150 (1-2), 127-128.

Ceulemans, A. (1987). The structure of jahn-teller surfaces. Journal of Chemical Physics, 87 (9), 5374-5385.

Ceulemans, A., Bongaerts, N., Vanquickenborne, L. (1987). Orbital description of the emitting doublet states in quadrate and trigonal chromium(iii) complexes. Inorganic Chemistry, 26 (10), 1566-1573.

Ceulemans, A., Oldenhof, W., Gorllerwalrand, C., Vanquickenborne, L. (1986). Gouterman 4-orbital model and the mcd spectra of high-symmetry metalloporphyrins. Journal of the American Chemical Society, 108 (6), 1155-1163.

Ceulemans, A. (1986). The butterfly geometry - a jahn-teller view. Journal of Chemical Physics, 84 (11), 6442-6451.

Ceulemans, A., Dendooven, M., Vanquickenborne, L. (1985). The ligand-field of phase-coupled ligators. Inorganic Chemistry, 24 (8), 1153-1158.

Ceulemans, A., Dendooven, M., Vanquickenborne, L. (1985). Unusual ligand-field effects in square-planar cobalt(ii) complexes of quadridentate schiff-bases. Inorganic Chemistry, 24 (8), 1159-1165.

Ceulemans, A. (1985). The construction of symmetric orbitals for molecular clusters. Molecular physics, 54 (1), 161-181.

Fowler, P., Ceulemans, A. (1985). Symmetry-relations in the property surfaces of icosahedral molecules. Molecular physics, 54 (4), 767-785.

Ceulemans, A., Fowler, P. (1985). Bonding patterns in transition-metal clusters. Inorganica Chimica Acta - Articles and letters, 105 (1), 75-82.

Viaene, L., Ceulemans, A., Vanquickenborne, L. (1985). Excited-state spectroscopy of tetrachloroplatinate(ii). Inorganic Chemistry, 24 (11), 1713-1716.

Poliakoff, M., Ceulemans, A. (1984). Ir laser-induced isomerization of fe(co)4 - a unique example of the jahn-teller effect. Journal of the American Chemical Society, 106 (1), 50-54.

Ceulemans, A., Beyens, D., Vanquickenborne, L. (1984). Symmetry aspects of jahn-teller activity - structure and reactivity. Journal of the American Chemical Society, 106 (20), 5824-5837.

Vanquickenborne, L., Ceulemans, A. (1983). Ligand-field models and the photochemistry of coordination-compounds. Coordination chemistry reviews, 48 (2), 157-202.

Ceulemans, A., Beyens, D., Vanquickenborne, L. (1983). Ligand-field model photoinduced isomerizations of ruthenium(iii) complexes. Inorganic Chemistry, 22 (7), 1113-1117.

Ceulemans, A., Beyens, D. (1983). Monomial representation of point-group symmetries. Physical Review A, Atomic, Molecular and Optical Physics, 27 (2), 621-631.

Ceulemans, A. (1983). Selective dynamical coupling in the d-d spectra of octahedral d3 complexes. Chemical Physics Letters, 97 (4-5), 365-368.

Ceulemans, A., Beyens, D., Vanquickenborne, L. (1982). On the connection between the photochemistry and the jahn-teller effect of the excited doublets in octahedral cr(iii) complexes. Journal of the American Chemical Society, 104 (11), 2988-2993.

Ceulemans, A., Hollebone, B. (1982). The subduction of vibrational-states of molecules from the momentum space of simple harmonic motion. Theoretica chimica acta, 61 (5), 403-426.

Ceulemans, A., Beyens, D., Vanquickenborne, L. (1982). D-s-mixing as a rationale for structural similarities between hexacoordinated ni(ii)-complexes and cu(ii)-complexes. Inorganica Chimica Acta - Articles, 61 (2), 199-206.

Ceulemans, A. (1982). Building-up principles for diradical states. Chemical physics, 66 (1-2), 169-175.

Vanquickenborne, L., Ceulemans, A., Beyens, D., Mcgarvey, J. (1982). Photoreactivity patterns in nickel(ii) compounds. Journal of physical chemistry, 86 (4), 494-500.

Vanquickenborne, L., Ceulemans, A. (1981). On the ligand-field spectra of square-planar platinum(ii) and palladium(ii) complexes. Inorganic Chemistry, 20 (3), 796-800.

Vanquickenborne, L., Ceulemans, A. (1981). Photolabilization and bond indexes in hexacoordinated transition-metal complexes - the d2h case. Inorganic Chemistry, 20 (1), 110-113.

Ceulemans, A., Vanquickenborne, L. (1981). On the charge-transfer spectra of iron(ii)-tris(2,2’-bipyridyl) and ruthenium(ii)-tris(2,2’-bipyridyl) complexes. Journal of the American Chemical Society, 103 (9), 2238-2241.

Ceulemans, A. (1981). The primitives of finite-group coupling-coefficients. Chemical Physics Letters, 81 (2), 330-334.

Ceulemans, A. (1981). Cartesian partitioning of the potential-energy in the chemical-bond. Journal of Chemical Physics, 75 (5), 2276-2280.

Vanquickenborne, L., Ceulemans, A. (1980). On the evaluation of matrix-elements of symmetry operators in a determinantal basis. Chemical Physics Letters, 75 (3), 494-496.

Vanquickenborne, L., Ceulemans, A. (1979). Stereochemistry of equatorial photosubstitution reactions - chromium(iii)-fluoropentaamine case. Inorganic Chemistry, 18 (12), 3475-3478.

Vanquickenborne, L., Ceulemans, A. (1979). Photochemistry of cr(nh3)5f2+, trans-cr(en)2(nh3)f2+, and trans-cr(en)2f2+. Inorganic Chemistry, 18 (3), 897-899.

Viaene, L., Dolieslager, J., Ceulemans, A., Vanquickenborne, L. (1979). Excited-state spectroscopy of hexacyanocobaltate(iii). Journal of the American Chemical Society, 101 (6), 1405-1409.

Vanquickenborne, L., Ceulemans, A. (1978). Electronic selection-rules in photo-chemical substitution-reactions of cr(iii) complexes. Journal of the American Chemical Society, 100 (2), 475-483.

Vanquickenborne, L., Ceulemans, A. (1978). Photostereochemistry and electronic selection-rules in strong-field d6 transition-metal complexes. Inorganic Chemistry, 17 (10), 2730-2736.

Vanquickenborne, L., Ceulemans, A. (1977). Photochemical substitution-reactions of hexacoordinated transition-metal complexes. Journal of the American Chemical Society, 99 (7), 2208-2214.

Books, internationally recognised scientific publisher; as editor

(2003). Manifestations of Vibronic Coupling in Chemistry and Physics. (Ceulemans, A., Ed., Chibotaru, L., Ed., Kryachko, E., Ed.). Amsterdam: Academic Press.

Book chapters, internationally recognised scientific publisher

Tshishimbi Muya, J., Gopakumar, G., Lijnen, E., Nguyen, M., Ceulemans, A. (2011). Investigations of the Boron Buckyball, B(80). Bonding analysis and chemical reactivity. In: Atanasov M., Daul C., Tregenna-Piggott P. (Eds.), Vibronic Interactions and the Jahn-Teller effect, Chapt. 14. Berlin: Springer, 265-278

Ceulemans, A., Lijnen, E. (2009). Electronic degeneracy and vibrational degrees of freedom: a permutational proof of the Jahn-Teller Theorem. In: Koeppel H., Yarkony D., Barentzen H. (Eds.), The Jahn-Teller Effect: Advances and Perspectives. Berlin/Heidelberg:. Springer.

Lijnen, E., Ceulemans, A. (2005). The symmetry of the Dyck graph: group structure and molecular realization. In: Diudea M. (Eds.), Nanostructures - Novel Architectures, Chapt. 14. Hauppage, New York:. Nova Science Publishers Inc..

Chibotaru, L., Ceulemans, A. (1999). Symmetry breaking and the band structure of fullerides: the concomitant role of Jahn-Teller interactions and electron correlation. In: Bevilacqua G., Martinelli L., Terzi N. (Eds.), Electron-Phonon Dynamics and Jahn-Teller Effect (pp. 233-242). Singapore:. World Scientific Publishing Co. Pte. Ltd.

Papers at international conferences and symposia, published in full in proceedings

Lijnen, E., Ceulemans, A. (2009). Optimized algorithm to find all symmetry-distinct maps of a graph: application to topology-driven molecular design. Journal of mathematical chemistry: Vol. 45 (2). 20 years of Molecular Topology in Cluj. Cluj-Napoca, 25-30 September, 2006 (pp. 386-405) Springer.

Lijnen, E., Ceulemans, A., Diudea, M., Nagy, C. (2009). Double toroids as model systems for carbon nanotube junctions: through-bond currents. Journal of Mathematical Chemistry: Vol. 45 (2). 20 years of molecular topology in Cluj. Cluj-Napoca, 25-30 September, 2006 (pp. 417-430) J.C. Baltzer.

Lijnen, E., Ceulemans, A. (2003). The polyhedral representation of hypersurfaces for intramolecular rearrangements: Application to the icosahedral H x 2h Jahn-Teller surface. In Lulek, T. (Ed.), Lulek, B. (Ed.), Wal, A. (Ed.), Proceedings of the 7th international school on theoretical physics. SSPCM. Myczkowce / Poland, 11-18 September 2002. New Jersey: World Scientific.

Parra-Mejías, Z., Compernolle, S., Chibotaru, L., Ceulemans, A. (2001). Description of nanotubes using line group symmetry. AIP Conference Proceedings: Vol. 591. ELECTRONIC PROPERTIES OF MOLECULAR NANOSTRUCTURES:, 7-Nov-2001 (pp. 442-445) Springer New York LLC.

Chibotaru, L., Ceulemans, A. (2000). Broken-symmetry band structure description of the spectroscopy of K3C60. AIP Conference Proceedings: Vol. 544. ELECTRONIC PROPERTIES OF NOVEL MATERIALS—MOLECULAR NANOSTRUCTURES:, 21-November 2000 (pp. 19-23) Springer New York LLC.

Verberckmoes, A., Schoonheydt, R., Ceulemans, A., Delabie, A., Pierloot, K. (1999). Semi-emperical and ab-initio Calculations of the Spectroscopic properties of Co(II) coordinated in Zeolite A. In Treacy, M. (Ed.), Marcus, B. (Ed.), Bisher, M. (Ed.), Higgins, J. (Ed.), Proceed. of the 12th International Zeolite Conference: Vol. I. 12th International Zeolite Conference. Baltimore, USA, 1998 July 5-10 (pp. 387-400). Warrendale, Pennsylvania: Materials Research Society.

Meeting abstracts, presented at international conferences and symposia, published or not published in proceedings or journals

Binnemans, K., Görller-Walrand, C., Ceulemans, A., Galyametdinov, Y., Mironov, V. (2002). Influence of the crystal-field perturbation on the room-temperature magnetic anisotropy of lanthanide compounds. 23rd Rare-Earth Research Conference (23rd RERC). Davis (California, USA), 13-18 July 2002.

Chibotaru, L., Ceulemans, A. (2008). "The Jahn-Teller effect" by I.B. Bersuker :Book review. In: International journal of quantum chemistry, 109, 639-640: Wiley.

Ceulemans, A. (2005). "Magnetism: Molecules to Materials V", J. S. Miller and M. Drillon (eds.) , Wiley: Book Review. In: ChemPhysChem, 6, 1949: Wiley-VCH.

Ceulemans, A. (2004). "The role of degenerate states in Chemistry" by M. Baer and G. D. Billing: Book Review. In: ChemPhysChem, 5, 1631-1632: Wiley-VCH.

Chibotaru, L., Ceulemans, A., Lorenzini, M., Moshchalkov, V. (2003). Vorticity quantum numbers for confined electrons (vol 63, pg 159, 2003). In: Europhysics letters, 63 (3), 476-477: E d p sciences

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