MOLECULAR-ORBITAL THEORY FOR INFINITE SYSTEMS - REGULAR POLYMER CHAINS

被引：35

作者：

OSHEA, S

SANTRY, DP

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1971年 / 54卷 / 06期

关键词：

D O I：

10.1063/1.1675230

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

页码：2667 / &

共 19 条

[11] Simple LCAO band calculation for the ideal polyethylene chain [J].

Mccubbin, W. L. ;

Manne, R. .

CHEMICAL PHYSICS LETTERS, 1968, 2 (04) :230-232

[12] A SEMI-EMPIRICAL THEORY OF THE CONJUGATED SYSTEMS .2. BOND ALTERNATION IN CONJUGATED CHAINS [J].

OOSHIKA, Y .

JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1957, 12 (11) :1246-1250

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

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

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

[14] 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-+

[15] APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP [J].

POPLE, JA ;

BEVERIDGE, DL ;

DOBOSH, PA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (06) :2026-+

[16] 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-&

[17]

POPLE JA, 1970, APPROXIMATE MOLECULA

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

ROOTHAAN, CCJ .

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

[19]

ZIMAN JM, 1965, PRINCIPLES THEORIES

← 1 2 →