MOLECULAR-ORBITAL STUDY OF PROTONATION .3. EQUILIBRIUM STRUCTURES AND ENERGIES OF IONS RCHOH+

被引:58
作者
DELBENE, JE
机构
关键词
D O I
10.1021/ja00474a006
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1673 / 1679
页数:7
相关论文
共 11 条
[1]  
ARNETT EM, 1975, PROTON TRANSFER REAC, P79
[2]   ION CYCLOTRON RESONANCE SPECTROSCOPY [J].
BEAUCHAM.JL .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :527-&
[3]  
DELBENE JE, 1975, THEOR CHIM ACTA, V36, P195, DOI 10.1007/BF00572559
[4]   MOLECULAR-ORBITAL STUDY OF PROTONATION - SUBSTITUTED CARBONYL-COMPOUNDS [J].
DELBENE, JE ;
VACCARO, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (24) :7526-7532
[5]  
DELBENE JE, 1977, J AM CHEM SOC, V99, P3618
[6]   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-+
[7]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840
[8]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[9]   RELATIONSHIP BETWEEN ORBITAL IONIZATION ENERGIES AND MOLECULAR-PROPERTIES - PROTON AFFINITIES AND PHOTOELECTRON-SPECTRA OF NITRILES [J].
STALEY, RH ;
KLECKNER, JE ;
BEAUCHAMP, JL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (08) :2081-2085
[10]  
Taft R. W., 1975, PROTON TRANSFER REAC, P31