DIPOLE-MOMENT DERIVATIVES FROM MINDO-3 SEMIEMPIRICAL MO CALCULATIONS

被引：12

作者：

PANDEY, PKK

CHANDRA, P

PRASAD, PL

SINGH, S

机构：

[1] BANARAS HINDU UNIV,DEPT CHEM,VARANASI 221005,INDIA

[2] INDIAN INST TECHNOL,DEPT CHEM,STRUCT CHEM GRP,MADRAS 600036,INDIA

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 49卷 / 02期

关键词：

D O I：

10.1016/0009-2614(77)80604-0

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：353 / 356

页数：4

共 17 条

[1] CNDO CALCULATION OF DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES OF BF3 [J].

BRUNS, R ;

PERSON, WB .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (11) :5401-&

[2] CALCULATED DIPOLE-MOMENT FUNCTIONS AND INFRARED INTENSITIES OF HCN AND N2O [J].

BRUNS, RE ;

PERSON, WB .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1413-+

[3] VIBRATIONAL INTENSITIES OF F2CS AND CL2CS [J].

BRUNS, RE .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1855-1860

[4]

Decius J. C., 1955, MOLECULAR VIBRATIONS

[5] GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS [J].

DEWAR, MJS ;

LO, DH ;

RAMSDEN, CA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1311-1318

[6] VIBRATIONAL INTENSITIES .8. CH3 AND CD3 CHLORIDE, BROMIDE, AND IODIDE [J].

DICKSON, AD ;

MILLS, IM ;

CRAWFORD, B .

JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (02) :445-455

[7] CORIOLIS INTERACTIONS ABOUT X-Y AXES IN SYMMETRIC TOPS [J].

DILAURO, C ;

MILLS, IM .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1966, 21 (04) :386-&

[8] INFLUENCE OF VIBRATION-ROTATION INTERACTION ON LINE INTENSITIES IN VIBRATION-ROTATION BANDS OF DIATOMIC MOLECULES [J].

HERMAN, R ;

WALLIS, RF .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (04) :637-646

[9] COMPARISON OF AB-INITIO, CNDO-2 AND EXPERIMENTAL DIPOLE-MOMENT DERIVATIVES FOR C2 HYDROCARBONS AND FORMALDEHYDE [J].

JALSOVSZKY, G ;

PULAY, P .

JOURNAL OF MOLECULAR STRUCTURE, 1975, 26 (02) :277-287

[10] ABSOLUTE INFRARED INTENSITIES OF HYDROCARBONS [J].

LEWIS, TP ;

LEVIN, IW .

THEORETICA CHIMICA ACTA, 1970, 19 (01) :55-&

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