MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS

被引：512

作者：

DEWAR, MJS

MCKEE, ML

RZEPA, HS

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1978年 / 100卷 / 11期

关键词：

D O I：

10.1021/ja00479a058

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

收藏

页码：3607 / 3607

页数：1

相关论文

共 10 条

[1] 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

[2] 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

[3] 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

[4] GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON [J].

DEWAR, MJS ;

MCKEE, ML .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (16) :5231-5241

[5] 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

[6] GROUND-STATES OF MOLECULES .29. MINDO-3 CALCULATIONS OF COMPOUNDS CONTAINING THIRD ROW ELEMENTS [J].

DEWAR, MJS ;

LO, DH ;

RAMSDEN, CA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1311-1318

[7] GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE [J].

DEWAR, MJS ;

RZEPA, HS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) :58-67

[8] GROUND-STATES OF MOLECULES .45. MNDO RESULTS FOR MOLECULES CONTAINING BERYLLIUM [J].

DEWAR, MJS ;

RZEPA, HS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (03) :777-784

[9]

DEWAR MJS, UNPUBLISHED

[10]

FRENKING G, J AM CHEM SOC