MOLECULAR BONDING WITH SCANDIUM - DIATOMICS SCH, SCO, SCC, AND SCN

被引：59

作者：

JEUNG, GH ^{[1
]}

KOUTECKY, J ^{[1
]}

机构：

[1] FREE UNIV BERLIN, INST PHYS CHEM, D-1000 BERLIN 33, GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 06期

关键词：

D O I：

10.1063/1.453874

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

收藏

页码：3747 / 3760

页数：14

相关论文

共 57 条

[51] THEORETICAL EVIDENCE SUPPORTING THE 4-DELTA GROUND-STATE ASSIGNMENT FOR FEH [J].

WALCH, SP .

CHEMICAL PHYSICS LETTERS, 1984, 105 (01) :54-57

[52] THEORETICAL EVIDENCE FOR MULTIPLE ONE-ELECTRON 3D BONDING IN A 1ST ROW TRANSITION-METAL DIMER - THE 5-SIGMA-U- STATE OF SC2 [J].

WALCH, SP ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3590-3591

[53] CAS SCF CI CALCULATIONS FOR THE 3-SIGMA-G-, 1-SIGMA-G+,AND 5-DELTA-U STATES OF SC-2 [J].

WALCH, SP ;

BAUSCHLICHER, CW .

CHEMICAL PHYSICS LETTERS, 1983, 94 (03) :290-295

[54] ON INCORPORATION OF ATOMIC CORRELATION IN TRANSITION-METAL MOLECULAR CALCULATIONS - NIH [J].

WALCH, SP ;

BAUSCHLICHER, CW .

CHEMICAL PHYSICS LETTERS, 1982, 86 (01) :66-70

[55] CASSCF/CL CALCULATIONS FOR 1ST ROW TRANSITION-METAL HYDRIDES - THE TIH (4-PHI), VH (5-DELTA), CRH (6-SIGMA+), MNH (7-SIGMA+), FEH (4,6-DELTA), AND NIH (2-DELTA) STATES [J].

WALCH, SP ;

BAUSCHLICHER, CW .

JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4597-4605

[56] ON THE CHOICE OF GAUSSIAN 4F FUNCTIONS FOR USE IN CALCULATIONS ON TRANSITION-METAL COMPOUNDS [J].

WALCH, SP ;

BAUSCHLICHER, CW .

CHEMICAL PHYSICS LETTERS, 1984, 105 (02) :171-174

[57]

WEAST RC, 1971, HDB CHEM PHYSICS

← 1 2 3 4 5 6 →