ROLE OF DISTORTION ENERGY IN ABINITIO CALCULATED DIMERIZATION ENERGY OF FORMIC-ACID

被引:27
作者
SMIT, PH
DERISSEN, JL
VANDUIJNEVELDT, FB
机构
[1] STATE UNIV UTRECHT,STRUCT CHEM GRP,UTRECHT,NETHERLANDS
[2] STATE UNIV UTRECHT,THEORET CHEM GRP,UTRECHT,NETHERLANDS
关键词
D O I
10.1063/1.437108
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:4241 / 4244
页数:4
相关论文
共 18 条
[11]  
GROEN TP, UNPUBLISHED
[12]   MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .10. GROUND AND LOW-LYING EXCITED-STATES OF FORMIC-ACID DIMER [J].
IWATA, S ;
MOROKUMA, K .
THEORETICA CHIMICA ACTA, 1977, 44 (04) :323-339
[13]  
Karle J., 2002, J AM CHEM SOC, V66, P574, DOI [10.1021/ja01232a022, DOI 10.1021/JA01232A022]
[14]   STRUCTURE AND BARRIER TO INTERNAL ROTATION OF FORMIC ACID FROM MICROWAVE DATA [J].
LERNER, RG ;
FRIEND, JP ;
DAILEY, BP .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (01) :210-210
[15]  
Schuster P., 1976, Hydrogen bond. Recent developments in theory and experiments. I. Theory, P25
[16]   INVESTIGATION OF ELECTROSTATIC ENERGY IN FORMIC-ACID CRYSTAL, USING MULTIPOLE AND POINT-CHARGE LATTICE SUMS [J].
SMIT, PH ;
DERISSEN, JL ;
VANDUIJNEVELDT, FB .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (01) :274-282
[17]  
SMIT PH, UNPUBLISHED
[18]   WEAK INTERMOLECULAR INTERACTION .4. APPLICATION OF FUNCTION COUNTERPOISE METHOD TO CALCULATION OF INTERACTION ENERGY AND ITS COMPONENTS [J].
URBAN, M ;
HOBZA, P .
THEORETICA CHIMICA ACTA, 1975, 36 (03) :215-220