COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP CALCULATIONS ON 2ND-ROW MOLECULES

被引：139

作者：

SANTRY, DP

机构：

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1968年 / 90卷 / 13期

关键词：

D O I：

10.1021/ja01015a002

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：3309 / &

共 11 条

[1]

BREEN D, THESIS U VIRGINIA

[2] D-ORBITAL CONTRACTION IN CHEMICAL BONDING [J].

CRAIG, DP ;

MAGNUSSON, EA .

JOURNAL OF THE CHEMICAL SOCIETY, 1956, (DEC) :4895-4909

[3] ELECTRONIC STRUCTURE OF CHLORINE TRIFLUORIDE - AN APPROXIMATE MO-LCAO-SCF CALCULATION [J].

MANNE, R .

THEORETICA CHIMICA ACTA, 1966, 6 (04) :312-&

[4]

OOHOTA K, 1966, J PHYS SOC JAPAN, V21, P2306

[5] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+

[6] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+

[7] APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].

POPLE, JA ;

SEGAL, GA .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&

[8] ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS [J].

POPLE, JA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1953, 49 (12) :1375-1385

[9]

ROBIN MB, 1967, J CHEM PHYS, V47, P1201

[10] NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].

ROOTHAAN, CCJ .

REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89

← 1 2 →