STRAINED RING CARBONYL FORCE CONSTANTS FROM MOLECULAR-ORBITAL CALCULATIONS

被引：7

作者：

COLTHUP, NB ^{[1
]}

ORLOFF, MK ^{[1
]}

机构：

[1] AMER CYANAMID CO,CHEM RES DIV,STAMFORD,CT 06904

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 19卷 / 02期

关键词：

D O I：

10.1016/0009-2614(73)85079-1

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：298 / 300

页数：3

共 23 条

[11] STRETCHING FORCE CONSTANT OF THE CARBONYL BOND IN UNCONJUGATED KETONES [J].

HALFORD, JO .

JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (04) :830-833

[12]

HERZBERG G, 1945, INFRARED RAMAN SPECT, P180

[13] ABNORMAL ABSORPTION INTENSITY OF C-H STRETCHING VIBRATION BAND IN CHLOROFORM VAPOR .2. [J].

MIYAZAKI, T ;

YAMAMOTO, H .

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1972, 45 (06) :1669-+

[14]

OHNO A, 1968, TETRAHEDRON LETT, P959

[15] A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1. [J].

PARISER, R ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :466-471

[16] A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].

PARISER, R ;

PARR, RG .

JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776

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

POPLE, JA ;

SANTRY, DP ;

SEGAL, GA .

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

[18] MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS [J].

POPLE, JA ;

GORDON, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4253-&

[19] 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-+

[20] 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-&

← 1 2 3 →