MINDO-3 CALCULATIONS OF HYPERPOLARIZABILITIES OF FLUOROMETHANES

被引：15

作者：

DEWAR, MJS

SUCK, SH

WEINER, PK

BERGMAN, JG

机构：

[1] UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712

[2] BELL TEL LABS INC,HOLMDEL,NJ 07733

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 38卷 / 02期

关键词：

D O I：

10.1016/0009-2614(76)85141-X

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：226 / 227

页数：2

共 12 条

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DEWAR, MJS ;

LO, DH .

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[2] GROUND-STATES OF MOLECULES .28. MINDO-3 CALCULATIONS FOR COMPOUNDS CONTAINING CARBON, HYDROGEN, FLUORINE, AND CHLORINE [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1307-1311

[3] GROUND-STATES OF MOLECULES .26. MINDO-3 CALCULATIONS FOR HYDROCARBONS [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1294-1301

[4] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[5] MOLECULAR HYPERPOLARISABILITIES [J].

BUCKINGH.AD ;

ORR, BJ .

QUARTERLY REVIEWS, 1967, 21 (02) :195-&

[6]

Cohen H. D., 1965, J CHEM PHYS, V43, P534

[7]

DEWAR MJS, 1974, J CHEM SOC CHEM COMM, P612

[8] FINITE ELECTRIC-FIELD VALENCE-SHELL CALCULATIONS OF MOLECULAR HYPERPOLARIZABILITIES [J].

HUSH, NS ;

WILLIAMS, ML .

THEORETICA CHIMICA ACTA, 1972, 25 (04) :346-&

[9]

Pople J. A., 1968, J CHEM PHYS, V49, P2961

[10] SELF-CONSISTENT PERTURBATION THEORY .2. NUCLEAR-SPIN COUPLING CONSTANTS [J].

POPLE, JA ;

MCIVER, JW ;

OSTLUND, NS .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :2965-&

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