| 1 |
Ab initio determination of the force field of dichloromethane, verified by gas-phase infrared frequencies and intensities and applied to a combined electron diffraction and microwave investigation of geometry
Wang Y, Tremmel J, DeSmedt J, VanAlsenoy C, Geise HJ, VanderVeken B
Journal of Physical Chemistry A, 101(33), 5919, 1997 |
| 2 |
Solids Modeled by Ab-Initio Crystal-Field Methods .12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice
Peeters A, Demaeyer EA, Vanalsenoy C, Verbeeck RM
Journal of Physical Chemistry B, 101(20), 3995, 1997 |
| 3 |
Structure and Vibrational-Spectra of the Azabenzenes - A Density-Functional Study Including Exact Exchange Contributions
Martin JM, Vanalsenoy C
Journal of Physical Chemistry, 100(17), 6973, 1996 |
| 4 |
Ab-Initio Study of the Endohedral Complexes of C-60, Si-60, and Ge-60 with Monoatomic Ions - Influence of Electrostatic Effects and Hardness
Deproft F, Vanalsenoy C, Geerlings P
Journal of Physical Chemistry, 100(18), 7440, 1996 |
| 5 |
Formic Acetic-Anhydride in the Gas-Phase, Studied by Electron-Diffraction and Infrared-Spectroscopy, Supplemented with Ab-Initio Calculations of Geometries and Force-Fields
Wu G, Shlykov S, Vanalsenoy C, Geise HJ, Sluyts E, Vanderveken BJ
Journal of Physical Chemistry, 100(28), 11620, 1996 |
| 6 |
Solids Modeled by Ab-Initio Crystal-Field Methods .10. Structure of Alpha-Glycine, Beta-Glycine, and Gamma-Glycine Using a 15-Molecule Cluster
Peeters A, Vanalsenoy C, Lenstra AT, Geise HJ
Journal of Chemical Physics, 103(15), 6608, 1995 |
| 7 |
Formic Anhydride in the Gas-Phase, Studied by Electron-Diffraction and Microwave and Infrared-Spectroscopy, Supplemented with Ab-Initio Calculations of Geometries and Force-Fields
Wu G, Shlykov S, Vanalsenoy C, Geise HJ, Sluyts E, Vanderveken BJ
Journal of Physical Chemistry, 99(21), 8589, 1995 |
| 8 |
Joint Analysis of Ethyl Formate in the Gas-Phase by Electron-Diffraction and Microwave and Vibrational Spectroscopy Supplemented by Ab-Initio Calculations of Force-Fields
Peng Z, Shlykov S, Vanalsenoy C, Geise HJ, Vanderveken B
Journal of Physical Chemistry, 99(25), 10201, 1995 |
| 9 |
Ab-Initio Mia and Molecular Mechanics Studies of the Distorted Sucrose Linkage of Raffinose
Vanalsenoy C, French AD, Cao M, Newton SQ, Schafer L
Journal of the American Chemical Society, 116(21), 9590, 1994 |
