ROVIBRATIONAL EFFECTS ON NUCLEAR SHIELDING OF APEX NUCLEI IN BENT MOLECULES

被引:18
作者
OSTEN, HJ [1 ]
JAMESON, CJ [1 ]
机构
[1] UNIV ILLINOIS,DEPT CHEM,CHICAGO,IL 60680
关键词
D O I
10.1063/1.448717
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:4595 / 4606
页数:12
相关论文
共 50 条
[1]   RELAXATION OF MOLECULAR CHARGE DISTRIBUTION AND VIBRATIONAL FORCE CONSTANT [J].
BADER, RFW ;
BANDRAUK, AD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (04) :1666-&
[2]   CALCULATION OF MEAN ATOMIC POSITIONS IN VIBRATING POLYATOMIC MOLECULES [J].
BARTELL, LS .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (08) :1827-&
[3]  
BARTLETT RJ, 1979, J CHEM PHYS, V71, P281, DOI 10.1063/1.438069
[4]  
Batiz-Hernandez H., 1967, PROGR NUCL MAGN RESO, V3, P63, DOI DOI 10.1016/0079-6565(67)80012-8
[5]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .9. THE PREDICTION OF ANHARMONIC-FORCE CONSTANTS FROM POTENTIAL-ENERGY SURFACES BASED ON HARMONIC FORCE-FIELDS AND DISSOCIATION-ENERGIES FOR SO2 AND O3 [J].
CARTER, S ;
MILLS, IM ;
MURRELL, JN ;
VARANDAS, AJC .
MOLECULAR PHYSICS, 1982, 45 (05) :1053-1066
[6]   ARE BONDS BENT - TO WHAT EXTENT DO BOND ORBITALS FOLLOW NUCLEAR MOTIONS [J].
CHIPMAN, DM ;
PALKE, WE ;
KIRTMAN, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (10) :3377-3383
[8]   17O NMR SHIFTS IN H217O LIQUID AND VAPOR [J].
FLORIN, AE ;
ALEI, M .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :4268-&
[9]   DIPOLE-MOMENT, MAGNETIZABILITY AND NUCLEAR SHIELDING SURFACES FOR THE WATER MOLECULE [J].
FOWLER, PW ;
RILEY, G ;
RAYNES, WT .
MOLECULAR PHYSICS, 1981, 42 (06) :1463-1481
[10]   THE EFFECTS OF ROTATION, VIBRATION AND ISOTOPIC-SUBSTITUTION ON THE ELECTRIC-DIPOLE MOMENT, THE MAGNETIZABILITY AND THE NUCLEAR MAGNETIC SHIELDING OF THE WATER MOLECULE [J].
FOWLER, PW ;
RAYNES, WT .
MOLECULAR PHYSICS, 1981, 43 (01) :65-82