EFFECTIVE ATOMIC CHARGE MODEL FOR INFRARED INTENSITIES

被引：148

作者：

DECIUS, JC ^{[1
]}

机构：

[1] OREGON STATE UNIV,DEPT CHEM,CORVALLIS,OR 97331

来源：

JOURNAL OF MOLECULAR SPECTROSCOPY | 1975年 / 57卷 / 03期

关键词：

D O I：

10.1016/0022-2852(75)90296-9

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：348 / 362

页数：15

共 50 条

[31] An atomic charge-charge flux-dipole flux atom-in-molecule decomposition for molecular dipole-moment derivatives and infrared fundamental intensities
Haiduke, RLA
Bruns, RE
JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (11): : 2680 - 2688
[32] Revisiting the integrated infrared intensities and atomic polar tensors of the boron trihalides
Richter, Wagner E.
Bruns, Roy E.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2016, 164 : 123 - 127
[33] EXPERIMENTAL ATOMIC CHARGES FROM INFRARED INTENSITIES - COMPARISON WITH ABINITIO VALUES
GUSSONI, M
CASTIGLIONI, C
ZERBI, G
CHEMICAL PHYSICS LETTERS, 1983, 95 (06) : 483 - 485
[34] INFRARED INTENSITIES OF VIBRATIONAL-MODES OF AN ALPHA-HELICAL POLYPEPTIDE - CALCULATIONS BASED ON THE EQUILIBRIUM CHARGE CHARGE FLUX (ECCF) MODEL
TORII, H
TASUMI, M
JOURNAL OF MOLECULAR STRUCTURE, 1993, 300 : 171 - 179
[35] DERIVATION OF CHARGE-DISTRIBUTION FROM INFRARED INTENSITIES - THE CASE OF POLYACETYLENE
GUSSONI, M
CASTIGLIONI, C
MIRAGOLI, M
LUGLI, G
ZERBI, G
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1985, 41 (1-2): : 371 - 380
[36] INFRARED INTENSITIES - METHYL HALIDES - EFFECT OF SUBSTITUENTS ON CHARGE-DISTRIBUTIONS
WIBERG, KB
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (07) : 1718 - 1722
[37] CHARGE FLUXES AND ELECTRON DELOCALIZATION IN CONDUCTING POLYMERS FROM INFRARED INTENSITIES
ZERBI, G
CASTIGLIONI, C
SALA, S
GUSSONI, M
SYNTHETIC METALS, 1987, 17 (1-3) : 293 - 300
[38] Effective bond charges from infrared intensities: Ab initio calculations
Ilieva, S
Krusteva, M
Dudev, T
Galabov, B
Gounev, T
Durig, JR
JOURNAL OF MOLECULAR STRUCTURE, 1996, 377 (01) : 75 - 79
[39] ABINITIO COUNTERPART OF INFRARED ATOMIC CHARGES - CHARGE FLUXES
GUSSONI, M
RAMOS, MN
CASTIGLIONI, C
ZERBI, G
CHEMICAL PHYSICS LETTERS, 1989, 160 (02) : 200 - 205
[40] A MODEL FOR PARAMETRIC ANALYSIS OF THE INTENSITIES IN THE INFRARED-SPECTRA
GALABOV, B
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03): : 1599 - 1604

← 1 2 3 4 5 →