POTENTIAL MODELS AND LOCAL MODE VIBRATIONAL EIGENVALUE CALCULATIONS FOR ACETYLENE

被引：149

作者：

HALONEN, L ^{[1
]}

CHILD, MS ^{[1
]}

CARTER, S ^{[1
]}

机构：

[1] UNIV READING,DEPT CHEM,READING RG6 2AD,BERKS,ENGLAND

来源：

MOLECULAR PHYSICS | 1982年 / 47卷 / 05期

关键词：

D O I：

10.1080/00268978200100802

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：1097 / 1112

页数：16

共 36 条

[1] SPECTRUM OF DIDEUTEROACETYLENE NEAR 18.6 MICRONS [J].

BALDACCI, A ;

HURLOCK, SC ;

NARAHARI.K ;

GHERSETTI, S .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1972, 42 (02) :327-+

[2]

BALDACCI A, 1977, J MOL SPECTROSC, V68, P183, DOI 10.1016/0022-2852(77)90436-2

[3] H-3+ - AB-INITIO CALCULATION OF VIBRATION SPECTRUM [J].

CARNEY, GD ;

PORTER, RN .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (09) :3547-3565

[4] A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF ACETYLENE, H2C2(X1SIGMAG+) [J].

CARTER, S ;

MILLS, IM ;

MURRELL, JN .

MOLECULAR PHYSICS, 1980, 41 (01) :191-203

[5] ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .9. THE PREDICTION OF ANHARMONIC-FORCE CONSTANTS FROM POTENTIAL-ENERGY SURFACES BASED ON HARMONIC FORCE-FIELDS AND DISSOCIATION-ENERGIES FOR SO2 AND O3 [J].

CARTER, S ;

MILLS, IM ;

MURRELL, JN ;

VARANDAS, AJC .

MOLECULAR PHYSICS, 1982, 45 (05) :1053-1066

[6]

CASTRO C, 1981, COMMUNICATION

[7] LOCAL AND NORMAL VIBRATIONAL-STATES - A HARMONICALLY COUPLED ANHARMONIC-OSCILLATOR MODEL [J].

CHILD, MS ;

LAWTON, RT .

FARADAY DISCUSSIONS, 1981, 71 :273-285

[8] LOCAL MODE DEGENERACIES IN THE VIBRATIONAL-SPECTRUM OF H2O [J].

CHILD, MS ;

LAWTON, RT .

CHEMICAL PHYSICS LETTERS, 1982, 87 (03) :217-220

[9] VINYLIDENE-ACETYLENE REARRANGEMENT - SELF-CONSISTENT ELECTRON PAIRS STUDY OF A MODEL UNIMOLECULAR REACTION [J].

DYKSTRA, CE ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (05) :1378-1382

[10] DIDEUTEROACETYLENE BANDS IN 2-2.5 AND 5-10 MICRON REGIONS [J].

GHERSETTI, S ;

PLIVA, J ;

RAO, KN .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1971, 38 (01) :53-+

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