VIBRATIONAL FREQUENCIES, INFRARED-ABSORPTION INTENSITIES AND ENERGY DIFFERENCES BETWEEN ROTATIONAL ISOMERS OF PROPYL HALIDES

被引：49

作者：

TANABE, K ^{[1
]}

SAEKI, S ^{[1
]}

机构：

[1] NATL CHEM LAB IND,SHIBUYAKU,TOKYO,JAPAN

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1975年 / 27卷 / 01期

关键词：

D O I：

10.1016/0022-2860(75)85125-8

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：79 / 96

页数：18

共 28 条

[21] VIBRATIONAL PROPERTIES OF H/SI(111)-(1X1) SURFACES - INFRARED-ABSORPTION AND ELECTRON-ENERGY LOSS SPECTROSCOPIC STUDIES
DUMAS, P
CHABAL, YJ
JAKOB, P
APPLIED SURFACE SCIENCE, 1993, 65-6 (1-4) : 580 - 586
[22] THE BALANCE BETWEEN THEORETICAL METHOD AND BASIS SET QUALITY - A SYSTEMATIC STUDY OF EQUILIBRIUM GEOMETRIES, DIPOLE-MOMENTS, HARMONIC VIBRATIONAL FREQUENCIES, AND INFRARED INTENSITIES
THOMAS, JR
DELEEUW, BJ
VACEK, G
CRAWFORD, TD
YAMAGUCHI, Y
SCHAEFER, HF
JOURNAL OF CHEMICAL PHYSICS, 1993, 99 (01): : 403 - 416
[23] ELECTRIC-FIELD PERTURBATIVE CALCULATIONS OF VIBRATIONAL INTENSITIES .2. ORBITAL POLARIZABILITY MODEL FOR RAMAN OPTICAL-ACTIVITY AND SIMULTANEOUS EVALUATION OF RAMAN OPTICAL-ACTIVITY, RAMAN-SCATTERING, INFRARED CIRCULAR-DICHROISM, AND INFRARED-ABSORPTION INTENSITIES
POLAVARAPU, PL
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (05): : 2273 - 2282
[24] BACKDONATION AND INTERRELATIONSHIPS BETWEEN N-15, C-13 CHEMICAL-SHIFTS AND INFRARED-ABSORPTION FREQUENCIES IN HETEROCYCLIC N-OXIDES
PAUDLER, WW
JOVANOVIC, MV
HETEROCYCLES, 1982, 19 (01) : 93 - 109
[25] COMPARISON OF STO-3G AND 3-21G ABINITIO HARMONIC FORCE-FIELDS FOR ETHANE, PROPANE, DIMETHYL ETHER, AND CYCLOBUTANE - EFFECTS OF GEOMETRY AND SCALING ON CALCULATED FREQUENCIES, EIGENVECTORS, AND INFRARED-ABSORPTION INTENSITIES
SHAW, RA
URSENBACH, C
RAUK, A
WIESER, H
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1988, 66 (05): : 1318 - 1332
[26] ANALYTIC EVALUATION OF ENERGY GRADIENTS FOR THE SINGLE AND DOUBLE EXCITATION COUPLED CLUSTER (CCSD) WAVE-FUNCTION - A COMPARISON WITH C CONFIGURATION-INTERACTION (CISD, CISDT, AND CISDTQ) RESULTS FOR THE HARMONIC VIBRATIONAL FREQUENCIES, INFRARED INTENSITIES, DIPOLE-MOMENT, AND INVERSION BARRIER OF AMMONIAC
SCUSERIA, GE
SCHEINER, AC
RICE, JE
LEE, TJ
SCHAEFER, HF
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1987, : 495 - 501
[27] ABINITIO AND LOCALIZED MOLECULAR-ORBITAL STUDIES OF THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .4. COMPLEXES BETWEEN CHLOROFORM AND 3 ALIPHATIC NITRILES (CH3CN, CCL3CN AND HCCCN) - INFLUENCE OF HYDROGEN-BONDING ON THE CH AND CN INFRARED CHARACTERISTICS IN PROTON DONOR AND ACCEPTOR MOLECULESOR
FIGEYS, HP
GEERLINGS, P
BERCKMANS, D
VANALSENOY, C
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 : 721 - 740
[28] CORRELATIONS BETWEEN BOND LENGTHS, TC, AND O VIBRATION FREQUENCIES - RAMAN-SCATTERING AND INFRARED-ABSORPTION STUDY OF THE 1-2-1-2 STRUCTURE (CA1-YYY)SR2(TL0.5PB0.5)CU2O7 AS A FUNCTION OF DOPING
MERTELJ, T
MIHAILOVIC, D
MATACOTTA, FC
LIU, RS
COOPER, JR
GAMESON, I
EDWARDS, PP
PHYSICAL REVIEW B, 1993, 47 (18): : 12104 - 12109

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