Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory

Sato;  Yokogawa;  Sakaki

doi:10.5488/cmp.10.3.373

Polyatomic molecules in condensed phase: bond order index and solvation energy studied by RISM-SCF theory

Condensed Matter Physics ◽

10.5488/cmp.10.3.373 ◽

2007 ◽

Vol 10 (3) ◽

pp. 373 ◽

Cited By ~ 2

Author(s):

Sato ◽

Yokogawa ◽

Sakaki

Keyword(s):

Condensed Phase ◽

Bond Order ◽

Solvation Energy ◽

Polyatomic Molecules ◽

Scf Theory

Download Full-text

Charge, bond order and valence in the AB initio SCF theory

Chemical Physics Letters ◽

10.1016/0009-2614(83)80005-0 ◽

1983 ◽

Vol 97 (3) ◽

pp. 270-274 ◽

Cited By ~ 1220

Author(s):

I. Mayer

Keyword(s):

Ab Initio ◽

Bond Order ◽

Scf Theory

Download Full-text

Study of optical relaxation of polyatomic molecules in the condensed phase by site-selective laser spectroscopy

Chemical Physics Letters ◽

10.1016/0009-2614(83)80018-9 ◽

1983 ◽

Vol 97 (3) ◽

pp. 331-336 ◽

Cited By ~ 7

Author(s):

M.N. Sapozhnikov ◽

V.I. Alekseev

Keyword(s):

Laser Spectroscopy ◽

Condensed Phase ◽

Polyatomic Molecules ◽

Site Selective

Download Full-text

Bond-order conservation approach to chemisorption of polyatomic molecules: Effective partitioning of two-center bond energies

Surface Science ◽

10.1016/0039-6028(88)90179-3 ◽

1988 ◽

Vol 205 (1-2) ◽

pp. 336-352 ◽

Cited By ~ 12

Author(s):

Evgeny Shustorovich

Keyword(s):

Bond Order ◽

Polyatomic Molecules ◽

Bond Energies

Download Full-text

Correlation energies in polyatomic molecules modelled in terms of bond order

Molecular Physics ◽

10.1080/00268979600100381 ◽

1996 ◽

Vol 87 (3) ◽

pp. 553-567 ◽

Cited By ~ 9

Author(s):

Antonio Grassi ◽

Giuseppe M. Lombardo ◽

Norman H. March ◽

Renato Pucci

Keyword(s):

Bond Order ◽

Polyatomic Molecules

Download Full-text

Correlation of hardness with bond order. Polyatomic molecules

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(09)80019-5 ◽

1994 ◽

Vol 312 (3) ◽

pp. 297-303 ◽

Cited By ~ 6

Author(s):

Asit Kumar Chandra

Keyword(s):

Bond Order ◽

Polyatomic Molecules

Download Full-text

Charge, bond order and valence in the ab initio SCF theory

Chemical Physics Letters ◽

10.1016/0009-2614(85)85253-2 ◽

1985 ◽

Vol 117 (4) ◽

pp. 396 ◽

Cited By ~ 83

Author(s):

I. Mayer

Keyword(s):

Ab Initio ◽

Bond Order ◽

Scf Theory

Download Full-text

Collective hyperspherical coordinates for polyatomic molecules and clusters

Molecular Physics ◽

10.1080/00268970050177657 ◽

2000 ◽

Vol 98 (21) ◽

pp. 1763-1770 ◽

Cited By ~ 1

Author(s):

Vincenzo Aquilanti, Andrea Beddoni, Simonett

Keyword(s):

Polyatomic Molecules ◽

Hyperspherical Coordinates

Download Full-text

A simple method for calculating dispersion coefficients for isolated and condensed-phase species

Molecular Physics ◽

10.1080/002689798166882 ◽

1998 ◽

Vol 95 (3) ◽

pp. 549-570 ◽

Cited By ~ 8

Author(s):

R. J.-M. PELLENQ D. NICHOLSON

Keyword(s):

Condensed Phase ◽

Dispersion Coefficients ◽

Simple Method

Download Full-text

High energy excitations and intermolecular energy transfer in the condensed phase

Journal de Chimie Physique ◽

10.1051/jcp/1980770045 ◽

1980 ◽

Vol 77 ◽

pp. 45-49 ◽

Cited By ~ 1

Author(s):

R. Voltz

Keyword(s):

Energy Transfer ◽

Condensed Phase ◽

High Energy ◽

Intermolecular Energy ◽

Intermolecular Energy Transfer

Download Full-text

SOME APPLICATIONS OF PHOTOACOUSTIC SPECTROSCOPY TO THE STUDY OF CHEMICAL SYSTEMS IN THE CONDENSED PHASE - A TUTORIAL REVIEW

Le Journal de Physique Colloques ◽

10.1051/jphyscol:1983615 ◽

1983 ◽

Vol 44 (C6) ◽

pp. C6-99-C6-108

Author(s):

G. F. Kirkbright

Keyword(s):

Condensed Phase ◽

Photoacoustic Spectroscopy ◽

Chemical Systems

Download Full-text