LIMITS OF ELECTROSTATIC POTENTIAL PREDICTIONS - THEORETICAL-STUDY OF NITROUS-ACID AND PROTONATED DERIVATIVES

被引：22

作者：

DARGELOS, A

ELOUADI, S

LIOTARD, D

CHAILLET, M

ELGUERO, J

机构：

[1] UNIV PAU,CHIM STRUCT LAB,F-64010 PAU,FRANCE

[2] UNIV AIX MARSEILLE 3,CHIM MOLEC LAB,F-13397 MARSEILLE 4,FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 51卷 / 03期

关键词：

D O I：

10.1016/0009-2614(77)85421-3

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：545 / 551

页数：7

共 16 条

[1]

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[3] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].

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[4]

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[6] THEORETICAL TREATMENT OF ELECTROPHILIC REACTIVITY IN NITROXIDES AND KETYL RADICALS THROUGH AB-INITIO MOLECULAR ELECTROSTATIC POTENTIALS [J].

ELLINGER, Y ;

SUBRA, R ;

BERTHIER, G ;

TOMASI, J .

JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (22) :2440-2443

[7] ISOMERIZATION OF NITROUS ACID - AN INFRARED PHOTOCHEMICAL REACTION [J].

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[8]

HEHRE WJ, GAUSSIAN 70 QUANTUM

[9] THE INFRARED SPECTRUM AND THE STRUCTURE OF GASEOUS NITROUS ACID [J].

JONES, LH ;

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MOORE, GE .

JOURNAL OF CHEMICAL PHYSICS, 1951, 19 (12) :1599-1604

[10]

LIOTARD D, TO BE PUBLISHED

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