| 101 |
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Ab initio adiabatic and diabatic permanent dipoles for the low-lying states of the LiH molecule. A direct illustration of the ionic character
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Gadea, F. X. Berriche, H.
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North Holland
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1995
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| 102 |
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Ab initio and density functional study of the 5-pentacyclo(6.2.1.13,6.02,7.04,10)dodecyl cation. A symmetrical (micro)-hydride bridged carbocation/
|
Carneiro, Jos� Walkimar de M
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North Holland
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2001
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| 103 |
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Ab initio and density functional study of the Jahn-Teller distortion in the silane radical cation
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De Proft, F. Geerlings, P.
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North Holland
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1996
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| 104 |
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Ab initio and DFT studies for accurate description of van der Waals interaction between He atoms/
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Kurita, Noriyuki
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North Holland
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2001
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| 105 |
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Ab initio and DFT studies of the weakly bound nitrogen molecule complexes (N2)n (n=3-6)/
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Li, Q
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North Holland
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2003
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| 106 |
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Ab initio and DFT study of molecular structure and tautomerism of 2-amino-2-imidazoline, 2-amino-2-oxazoline and 2-amino-2-thiazoline/
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Remko, Milan
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North Holland
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2001
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| 107 |
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Ab initio and DFT study of the ground 3A' potential energy surface for the O(3P)+N2O->2NO reaction/
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Gonz�lez, Miguel
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North Holland
|
2001
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| 108 |
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Ab initio and model investigation of acetylene clustering around hydrogen cyanide/
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Schroeder, W. P
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North Holland
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2003
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| 109 |
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Ab initio and model investigation of acetylene clustering around hydrogen cyanide/
|
Schroeder, W. P
|
North Holland
|
2003
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| 110 |
|
Ab initio anharmonic intermolecular potential of the C2H2-HCl hydrogen bonded complex/
|
�ar�abal, P
|
North Holland
|
2001
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| 111 |
|
Ab initio basis set and correlation limit interaction energies for He-He, He-H2, and H-H2/
|
Lee, Jae Shin
|
North Holland
|
2001
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| 112 |
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Ab initio calculation of ^2H quadrupole coupling constants in molecular crystals: application to polymorphs of oxalic acid dihydrate
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Camus, S. Harris, K. D. M. Johnston, R. L.
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North Holland
|
1997
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| 113 |
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Ab initio calculation of atomic axial tensors and vibrational rotationalstrengths using density functional theory
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Cheeseman, J. R. Frisch, M. J. Stephens, P. J. Devlin, F. J.
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North Holland
|
1996
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| 114 |
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Ab initio calculation of Auger spectra for carbon monoxide
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Schimmelpfennig, B. Peyerimhoff, S. D.
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North Holland
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1996
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| 115 |
|
Ab initio calculation of excited state energies using basis set optimization and open-shell Moeller-Plesset perturbation theory
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Glushkov, V. N. Tsaune, A. Y.
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North Holland
|
1996
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| 116 |
|
Ab initio calculation of resonance energies and widths of HOCl(7nOH and 8nOH) and comparison with experiment/
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Zou, Shengli
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North Holland
|
2001
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| 117 |
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Ab initio calculation of the a3S+u interaction potential and vibrational levels of 7Li2/
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Halls, M D
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North Holland
|
2001
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| 118 |
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Ab initio calculation of the anharmonic force and dipole fields of nitrogen trifluoride
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Palmieri, P. Willetts, A. Senent, M. L. Tarroni, R.
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North Holland
|
1996
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| 119 |
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Ab initio calculation of the electrical properties of the X^2cap pi~g ground state of O~2^+
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Feher, M. Martin, P. A.
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North Holland
|
1996
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| 120 |
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Ab initio calculation of the torsional potential for 2-alkenylanthracene in the ground and excited states/
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Sakata, Ken
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North Holland
|
2001
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