MOLECULAR-STRUCTURES AND ENERGETICS FOR THE LOWEST TRIPLET-STATES OF GLYOXAL

被引：22

作者：

GAW, JF ^{[1
]}

SCHAEFER, HF ^{[1
]}

机构：

[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 83卷 / 04期

关键词：

D O I：

10.1063/1.449361

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：1741 / 1745

页数：5

共 59 条

[1] 4550 A BAND SYSTEM OF GLYOXAL .3. VIBRATION-ROTATIONAL ANALYSES FOR 11 BANDS OF C2D2O2 [J].

AGAR, DM ;

BAIR, EJ ;

BIRSS, FW ;

BORRELL, P ;

CHEN, PC ;

CURRIE, GN ;

MCHUGH, AJ ;

ORR, BJ ;

RAMSAY, DA ;

RONCIN, JY .

CANADIAN JOURNAL OF PHYSICS, 1971, 49 (03) :323-&

[2] BOND ORBITAL APPROACH FOR OPTICAL-ROTATORY STRENGTH CALCULATIONS [J].

ANGYAN, J ;

SURJAN, PR .

THEORETICA CHIMICA ACTA, 1983, 63 (01) :43-54

[3] ELECTRONIC SPLITTING BETWEEN 2B1 AND 2A1 STATES OF NH2 RADICAL [J].

BENDER, CF ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4798-&

[4] 4550 A BAND SYSTEM OF GLYOXAL .2. VIBRATION-ROTATIONAL ANALYSES FOR 12 BANDS OF C2H2O2 [J].

BIRSS, FW ;

BROWN, JM ;

CLOE, ARH ;

LOFTHUS, A ;

KRISHNAMACHARI, SL ;

OSBORNE, GA ;

PALDUS, J ;

RAMSAY, DA ;

WATMANN, L .

CANADIAN JOURNAL OF PHYSICS, 1970, 48 (10) :1230-+

[5] AN ABINITIO STUDY OF THE GEOMETRY OF THE C-C(H)=O GROUP, THE FC-C2 STRETCHING FORCE-CONSTANT, AND THE FC=O,C-C COUPLING-CONSTANT IN CONJUGATED MONOSUBSTITUTED CARBONYL-COMPOUNDS [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

CHEMICAL PHYSICS, 1982, 68 (1-2) :143-154

[6] AN ABINITIO STUDY OF THE INFLUENCE OF SUBSTITUENTS AND INTRAMOLECULAR HYDROGEN-BONDING ON THE CARBONYL BOND LENGTH, AND THE HARMONIC AND ANHARMONIC STRETCHING FORCE-CONSTANTS .1. MONOSUBSTITUTED CARBONYL-COMPOUNDS [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

CHEMICAL PHYSICS, 1981, 62 (03) :303-318

[7] AN ABINITIO STUDY OF RELATIONSHIPS BETWEEN BOND LENGTHS AND THE HARMONIC AND ANHARMONIC CROSS-COUPLING CONSTANTS INVOLVING THE DOUBLE-BONDS IN HETERO-ATOM SUBSTITUTED CONJUGATED DIENES [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

CHEMICAL PHYSICS, 1982, 73 (1-2) :179-190

[8] AN ABINITIO STUDY OF THE INFLUENCE OF SUBSTITUENTS AND INTRAMOLECULAR HYDROGEN-BONDING ON THE CARBONYL BOND LENGTH AND STRETCHING FORCE-CONSTANT .1. MONOSUBSTITUTED CARBONYL-COMPOUNDS [J].

BOCK, CW ;

TRACHTMAN, M ;

GEORGE, P .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (01) :30-37

[9] ELECTRONIC WAVEFUNCTIONS FOR ATOMS .3. PARTITION OF DEGENERATE SPACES AND GROUND STATE OF C [J].

BUNGE, A .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01) :20-&

[10]

Callomon J H., 1976, STRUCTURE DATA FREE, V7

← 1 2 3 4 5 6 →