THEORETICAL STUDIES OF MAGNETIC SHIELDING IN H2O AND (H2O)2

被引:177
作者
DITCHFIELD, R [1 ]
机构
[1] DARTMOUTH COLL, DEPT CHEM, HANOVER, NH 03755 USA
关键词
D O I
10.1063/1.433526
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
收藏
页码:3123 / 3133
页数:11
相关论文
共 63 条
[1]  
BRATOZ S, 1967, ADV QUANTUM CHEM, V3, P209
[2]   THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS [J].
DELBENE, J ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (09) :4858-+
[3]   THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS [J].
DELBENE, JE ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (09) :3605-3608
[4]  
DELBENE JE, 1971, J CHEM PHYS, V55, P4633, DOI 10.1063/1.1676800
[5]   SCF MO LCGO studies on hydrogen bonding. The water dimer [J].
Dierckssen, Geerd H. F. .
CHEMICAL PHYSICS LETTERS, 1969, 4 (06) :373-375
[6]   MOLECULAR-ORBITAL THEORY OF MAGNETIC SHIELDING AND MAGNETIC SUSCEPTIBILITY [J].
DITCHFIELD, R .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5688-+
[7]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[8]   SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS [J].
DITCHFIELD, R .
MOLECULAR PHYSICS, 1974, 27 (04) :789-807
[9]   MOLECULAR-ORBITAL THEORIES OF NMR CHEMICAL-SHIFTS [J].
DITCHFIELD, R .
CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :203-+
[10]  
DITCHFIELD R, 1971, J CHEM PHYS, V54, P4861