INVERSION AT TRIVALENT NITROGEN - APPLICATION OF THE MNDO AND MINDO/3 SEMI-EMPIRICAL MOLECULAR-ORBITAL METHODS

被引：30

作者：

JENNINGS, WB ^{[1
]}

WORLEY, SD ^{[1
]}

机构：

[1] AUBURN UNIV, DEPT CHEM, AUBURN, AL 36830 USA

来源：

JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2 | 1980年 / 10期

关键词：

D O I：

10.1039/p29800001512

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1512 / 1515

页数：4

共 36 条

[1] 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

[2]

BINGHAM RC, 1977, J AM CHEM SOC, V99, P1294

[3]

BINGHAM RC, 1977, J AM CHEM SOC, V99, P1302

[4]

CALRSEN NR, 1979, J AM CHEM SOC, V101, P2233

[5] IS FORMAMIDE PLANAR OR NONPLANAR [J].

CARLSEN, NR ;

RADOM, L ;

RIGGS, NV ;

RODWELL, WR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :2233-2234

[6] MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF FORMAMIDE [J].

COSTAIN, CC ;

DOWLING, JM .

JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :158-165

[7] GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4907-4917

[8] GROUND STATES OF SIGMA-BONDED MOLECULES .12. MINDO/1 STUDIES OF INVERSION BARRIERS, ROTATIONAL BARRIERS, TAUTOMERISM, AND HYDROGEN BONDING [J].

DEWAR, MJS ;

SHANSHAL, M .

JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1971, (01) :25-&

[9] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[10] MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS [J].

DEWAR, MJS ;

MCKEE, ML ;

RZEPA, HS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (11) :3607-3607

← 1 2 3 4 →