DETERMINATION OF FORCE-FIELDS FOR 2 CONFORMERS OF NITROMETHANE BY CNDO/FORCE METHOD

被引：10

作者：

BRAKASPATHY, R

JOTHI, A

SINGH, S

机构：

[1] INDIAN INST TECHNOL,DEPT CHEM,MADRAS 600036,TAMIL NADU,INDIA

[2] UNIV MADRAS,DEPT CRYSTALLOG & BIOPHYS,MADRAS 600025,TAMIL NADU,INDIA

来源：

PRAMANA | 1985年 / 25卷 / 02期

关键词：

D O I：

10.1007/BF02847660

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

引用

页码：201 / 209

页数：9

共 19 条

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[4]

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[5] FORCE-FIELD CALCULATION FOR INPLANE VIBRATIONS OF ETHYLENE USING CNDO FORCE METHOD [J].

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SINGH, S .

THEORETICA CHIMICA ACTA, 1976, 43 (02) :185-196

[7] VIBRATIONAL-SPECTRA OF NITROMETHANES AND EFFECTS OF INTERNAL-ROTATION [J].

MCKEAN, DC ;

WATT, RA .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (02) :184-202

[8] THEORETICAL-STUDY ON STEREOCHEMISTRY AND PROTONATION OF - CH2-NO2 [J].

MEZEY, PG ;

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CSIZMADIA, IG .

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[9]

POPLE JA, 1970, APPROXIMATE MO THEOR

[10]

POPOV EM, 1963, OPT SPECTROSC, V15, P174

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