1,2,5-THIADIAZOLE 1-OXIDES .3. AN EXPERIMENTAL AND THEORETICAL INVESTIGATION OF THE INVERSION BARRIER

被引：40

作者：

AMATO, JS ^{[1
]}

KARADY, S ^{[1
]}

REAMER, RA ^{[1
]}

SCHLEGEL, HB ^{[1
]}

SPRINGER, JP ^{[1
]}

WEINSTOCK, LM ^{[1
]}

机构：

[1] MERCK SHARP & DOHME,RES LABS,RAHWAY,NJ 07065

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1982年 / 104卷 / 05期

关键词：

D O I：

10.1021/ja00369a038

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1375 / 1380

页数：6

共 21 条

[1]

ANDERSEN KK, 1971, INT J SULFUR CHEM B, V6, P69

[2] LINEAR FREE-ENERGY CORRELATIONS OF BARRIERS TO PYRAMIDAL INVERSION [J].

BAECHLER, RD ;

ANDOSE, JD ;

MISLOW, K ;

STACKHOU.J .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (23) :8060-&

[3]

BALL EE, 1977, CHEM SCRIPTA, V12, P128

[4]

BEHUN JD, 1963, Patent No. 3112334

[5] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS [J].

COLLINS, JB ;

SCHLEYER, PV ;

BINKLEY, JS ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (12) :5142-5151

[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].

DITCHFIELD, R ;

HEHRE, WJ ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+

[7]

Egan W., 1970, J AM CHEM SOC, V92, P1442

[8] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .14. EXTENDED GAUSSIAN-TYPE BASES FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES - INCLUSION OF SECOND ROW ELEMENTS [J].

HEHRE, WJ ;

LATHAN, WA .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5255-&

[9]

JOHNSON CK, 1970, ORNL3794 REP

[10]

MAIN P, 1974, MULTAN74 U YORK SYST

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