ONE-ELECTRON PROPERTIES OF H2O, H2S AND CS AT THE CI LEVEL

被引:5
作者
DEBROUCKERE, G
FELLER, D
BERTHIER, G
机构
[1] INST BIOL PHYS CHIM,BIOCHIM THEOR LAB,F-75005 PARIS,FRANCE
[2] INDIANA UNIV,DEPT CHEM,BLOOMINGTON,IN 47405
关键词
D O I
10.1051/jcp/1985820827
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:827 / 834
页数:8
相关论文
共 21 条
[1]   ONE-TO-2 MILLIMETER WAVE SPECTROSCOPY .2. H2S [J].
BURRUS, CA ;
GORDY, W .
PHYSICAL REVIEW, 1953, 92 (02) :274-277
[2]   ITERATIVE CALCULATION OF A FEW OF LOWEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF LARGE REAL-SYMMETRIC MATRICES [J].
DAVIDSON, ER .
JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 17 (01) :87-94
[3]   MOLECULAR-PROPERTIES OF WATER [J].
DAVIDSON, ER ;
FELLER, D .
CHEMICAL PHYSICS LETTERS, 1984, 104 (01) :54-58
[4]  
DAVIDSON ER, 1978, CHEM PHYS LETT, V59, P360
[5]  
DAVIDSON ER, 1975, J CHEM PHYS, V362, P400
[6]   ABINITIO ONE-ELECTRON PROPERTY CALCULATIONS .1. MOLECULES COF2, SO2F2, SOF2 [J].
DEBROUCKERE, G ;
BROER, R ;
NIEUWPOORT, WC ;
BERTHIER, G .
MOLECULAR PHYSICS, 1980, 41 (04) :729-745
[7]   ABINITIO ONE-ELECTRON PROPERTY CALCULATIONS .2. MOLECULES C3H6O, C4H6O AND C3H6S [J].
DEBROUCKERE, G ;
BROER, R .
MOLECULAR PHYSICS, 1981, 43 (05) :1139-1150
[8]   ABINITIO ONE-ELECTRON PROPERTY CALCULATIONS .5. MISCELLANEOUS HETEROCYCLES AND RELATED-COMPOUNDS [J].
DEBROUCKERE, G ;
BERTHIER, G .
MOLECULAR PHYSICS, 1983, 49 (06) :1417-1441
[9]   ABINITIO ONE-ELECTRON PROPERTY CALCULATIONS .4. HEXACYCLIC MOLECULES AND RELATED-COMPOUNDS [J].
DEBROUCKERE, G ;
BERTHIER, G .
MOLECULAR PHYSICS, 1982, 47 (01) :209-224
[10]   ABINITIO ONE-ELECTRON PROPERTY CALCULATIONS .3. PENTACYCLIC MOLECULES - C5H6, C4H5N, C4H4O, C4H4S, C4H6S [J].
DEBROUCKERE, G ;
NIEUWPOORT, WC ;
BROER, R ;
BERTHIER, G .
MOLECULAR PHYSICS, 1982, 45 (03) :649-661