APPROXIMATE SINGLE-VALUED REPRESENTATIONS OF MULTIVALUED POTENTIAL-ENERGY SURFACES

被引:114
作者
MURRELL, JN
CARTER, S
机构
关键词
D O I
10.1021/j150665a016
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:4887 / 4891
页数:5
相关论文
共 10 条
[1]   POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF FORMALDEHYDE, H2CO(X1A1) [J].
CARTER, S ;
MILLS, IM ;
MURRELL, JN .
MOLECULAR PHYSICS, 1980, 39 (02) :455-469
[2]   A POTENTIAL-ENERGY SURFACE FOR THE GROUND-STATE OF ACETYLENE, H2C2(X1SIGMAG+) [J].
CARTER, S ;
MILLS, IM ;
MURRELL, JN .
MOLECULAR PHYSICS, 1980, 41 (01) :191-203
[3]   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
[4]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES .8. A 2-VALUED SURFACE FOR THE LOWEST 1A' STATES OF H2O [J].
MURRELL, JN ;
CARTER, S ;
MILLS, IM ;
GUEST, MF .
MOLECULAR PHYSICS, 1981, 42 (03) :605-627
[5]   TRAJECTORY STUDIES OF O+H2 REACTIONS ON FITTED ABINITIO SURFACES .2. SINGLET CASE [J].
SCHINKE, R ;
LESTER, WA .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (06) :3754-3766
[6]   ANHARMONIC FORCE CONSTANTS OF WATER [J].
SMITH, DF ;
OVEREND, J .
SPECTROCHIMICA ACTA PART A-MOLECULAR SPECTROSCOPY, 1972, A 28 (03) :471-&
[7]   THEORETICAL-STUDY OF O(1D)+H-2(1SIGMAG(+)) REACTIVE QUENCHING PROCESS [J].
SORBIE, KS ;
MURRELL, JN .
MOLECULAR PHYSICS, 1976, 31 (03) :905-920
[8]   ANALYTICAL POTENTIALS FOR TRIATOMIC-MOLECULES FROM SPECTROSCOPIC DATA [J].
SORBIE, KS ;
MURRELL, JN .
MOLECULAR PHYSICS, 1975, 29 (05) :1387-1407
[9]   VARIATIONAL CALCULATION OF VIBRATION-ROTATION ENERGY-LEVELS FOR TRIATOMIC-MOLECULES [J].
WHITEHEAD, RJ ;
HANDY, NC .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :356-373
[10]   About the Structure of the diatomic Mulecule Spectra according to Quantum Mechanics [J].
Wigner, E. ;
Witmer, E. E. .
ZEITSCHRIFT FUR PHYSIK, 1928, 51 (11-12) :859-886