THE ANHARMONIC POTENTIAL FUNCTION OF METHYLENE FLUORIDE - SCF ABINITIO COMPUTATIONS OF THE CUBIC FORCE-FIELD AND ANALYSIS OF VIBRATION-ROTATION INTERACTION CONSTANTS

被引：20

作者：

GAW, JF ^{[1
]}

HANDY, NC ^{[1
]}

PALMIERI, P ^{[1
]}

DEGLI ESPOSTI, A ^{[1
]}

机构：

[1] CNR, IST SPETTROSCOPIA MOLEC, I-40126 BOLOGNA, ITALY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 89卷 / 02期

关键词：

D O I：

10.1063/1.455165

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：959 / 967

页数：9

共 39 条

[1] CALCULATED SEXTIC CENTRIFUGAL-DISTORTION CONSTANTS OF POLYATOMIC-MOLECULES [J].

ALIEV, MR ;

WATSON, JKG .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (01) :29-52

[2] FORBIDDEN ROTATIONAL SPECTRA OF AXIALLY-SYMMETRIC POLAR-MOLECULES [J].

ALIEV, MR ;

MIKHAYLOV, VM .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 49 (01) :18-26

[3]

AMOS RD, 1984, PUBLICATION CCP, V1844

[4] THE HARMONIC AND ANHARMONIC-FORCE FIELDS AND VIBRATION-ROTATION CONSTANTS OF CINO, FNO, FSN, AND CISN FROM SCF AND CL ABINITIO COMPUTATIONS [J].

BENDAZZOLI, GL ;

CAZZOLI, G ;

ESPOSTI, CD ;

FANO, G ;

ORTOLANI, F ;

PALMIERI, P .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (10) :5351-5364

[5] STUDY ON GVFF OF CHF3, CH2F2, AND CH3F [J].

BLOM, CE ;

MULLER, A .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1978, 70 (03) :449-458

[6] APPLICATION OF SELF-CONSISTENT-FIELD AB-INITIO CALCULATIONS TO ORGANIC-MOLECULES .2. SCALE FACTOR METHOD FOR CALCULATION OF VIBRATIONAL FREQUENCIES FROM AB-INITIO FORCE CONSTANTS - ETHANE, PROPANE AND CYCLOPROPANE [J].

BLOM, CE ;

ALTONA, C .

MOLECULAR PHYSICS, 1976, 31 (05) :1377-1391

[7] VIBRATIONAL FREQUENCIES FROM ANHARMONIC ABINITIO-EMPIRICAL POTENTIAL-ENERGY FUNCTIONS .1. METHOD AND APPLICATION TO H2O, HNO, HOF AND HOC1 [J].

BOTSCHWINA, P .

CHEMICAL PHYSICS, 1979, 40 (1-2) :33-44

[8]

CALIFANO S, 1976, VIBRATIONAL STATES, P180

[9] EQUILIBRIUM STRUCTURE AND FORCE-FIELD OF NITROSYL CHLORIDE [J].

CAZZOLI, G ;

ESPOSTI, CD ;

PALMIERI, P ;

SIMEONE, S .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 97 (01) :165-185

[10] DETERMINATION OF THE CUBIC FORCE-FIELD OF NITROSYL FLUORIDE BY VIBRATION-ROTATION ALPHA-CONSTANTS AND SEXTIC CENTRIFUGAL-DISTORTION CONSTANTS [J].

CAZZOLI, G ;

ESPOSTI, CD ;

FAVERO, PG ;

PALMIERI, P .

NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA D-CONDENSED MATTER ATOMIC MOLECULAR AND CHEMICAL PHYSICS FLUIDS PLASMAS BIOPHYSICS, 1984, 3 (04) :627-644

← 1 2 3 4 →