CNDO BOND INDICES AND RELATIONS TO MOLECULAR ENERGIES

被引：67

作者：

EHRENSON, S

SELTZER, S

机构：

来源：

THEORETICA CHIMICA ACTA | 1971年 / 20卷 / 01期

关键词：

D O I：

10.1007/BF00529107

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：17 / &

共 35 条

[21] 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-+

[22] 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-+

[23] 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-&

[24] RAMAN SPECTRUM OF 1,3-BUTADIENE IN THE GASEOUS AND LIQUID STATES [J].

RICHARDS, CM ;

NIELSEN, JR .

JOURNAL OF THE OPTICAL SOCIETY OF AMERICA, 1950, 40 (07) :438-441

[25]

ROSSINI FD, 1961, 500 NAT BUR STAND 1

[26]

ROSSINI FD, 1953, 44 AM PETR I RES PRO

[27] VIBRATIONAL ANALYSIS OF THE N-PARAFFINS .2. NORMAL CO-ORDINATE CALCULATIONS [J].

SCHACHTSCHNEIDER, JH ;

SNYDER, RG .

SPECTROCHIMICA ACTA, 1963, 19 (01) :117-168

[28]

SUTTON LE, 1965, 18 CHEM SOC LOND S S

[29] BOND INDEX DESCRIPTION OF DELOCALIZATION [J].

TRINDLE, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (01) :219-+

[30] LOCAL ORBITAL GUIDE TO ALLOWED INTERCONVERSIONS OF C4H7+ IONS [J].

TRINDLE, C ;

SINANOGL.O .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (15) :4054-&

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