MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - CIS AND TRANS DIAZIRIDINE, OXAZIRIDINE AND CORRESPONDING IMMINIUM IONS

被引：69

作者：

BONACCORSI, R

SCROCCO, E

TOMASI, J

机构：

来源：

THEORETICA CHIMICA ACTA | 1971年 / 21卷 / 01期

关键词：

D O I：

10.1007/BF00529086

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 / +

页数：1

共 9 条

[1] OPTICAL AND PHOTOELECTRON SPECTRA OF SMALL RINGS .3. SATURATED 3-MEMBERED RINGS [J].

BASCH, H ;

ROBIN, MB ;

KUEBLER, NA ;

BAKER, C ;

TUNER, DW .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01) :52-+

[2] SCF MINIMAL BASIS SET CALCULATIONS AND EXCLUSIVE ORBITALS FOR CN- HCN N3- HN3 NCO- AND HNCO [J].

BONACCOR.R ;

PETRONGO.C ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (04) :1500-&

[3] MOLECULAR SCF CALCULATIONS FOR GROUND STATE OF SOME 3-MEMBERED RING MOLECULES - (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, AND N2CH2 [J].

BONACCOR.R ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10) :5270-&

[4] AB INITIO CALCULATION OF QUADRUPOLE COUPLING CONSTANT OF 14N IN HCN FCN CICN HC2CN CN-OCN-SCN- AND EXAMINATION OF TOWNES-DAILEY INTERPRETATION IN TERMS OF EXCLUSIVE ORBITALS [J].

BONACCOR.R ;

SCROCCO, E ;

TOMASI, J .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (07) :2940-&

[5] ATOMIC SCREENING CONSTANTS FROM SCF FUNCTIONS [J].

CLEMENTI, E ;

RAIMONDI, DL .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (11) :2686-&

[6] THEORETICAL CONFORMATIONAL ANALYSIS .3. NITROGEN INVERSION - AN AB INITIO SCF-LCAO-MO STUDY OF AZIRIDINE AND OXAZIRIDINE [J].

LEHN, JM ;

MUNSCH, B ;

MILLIE, P ;

VEILLARD, A .

THEORETICA CHIMICA ACTA, 1969, 13 (04) :313-&

[7] BOND MOMENTS IN 2-CARBON SERIES ETHANE ETHYLENE AND ACETYLENE [J].

PRITCHAR.RH ;

KERN, CW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (07) :1631-&

[8] PEPTIDES FROM NON-AMINO ACID SOURCES .2. A QUANTUM-CHEMICAL STUDY OF ISOMERS OF FORMAMIDE [J].

ROBB, MA ;

CSIZMADI.IG .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (04) :1819-&

[9] LOCALIZED ORBITALS FOR POLYATOMIC MOLECULES .I. TRANSFERABILITY OF C-H BOND IN SATURATED MOLECULES [J].

ROTHENBERG, S .

JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) :3389-+

← 1 →