MOLECULAR-ORBITAL STUDIES OF METHANOL POLYMERS USING A MINIMAL BASIS SET

被引:118
作者
CURTISS, LA [1 ]
机构
[1] ARGONNE NATL LAB,DIV CHEM ENGN,ARGONNE,IL 60439
关键词
D O I
10.1063/1.434966
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:1144 / 1149
页数:6
相关论文
共 19 条
[1]  
CHEAM V, 1970, J PHYS CHEM-US, V74, P4157
[2]   AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER [J].
CURTISS, LA ;
POPLE, JA .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1975, 55 (1-3) :1-14
[3]   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-+
[4]  
DELBENE JE, 1971, J CHEM PHYS, V55, P4633, DOI 10.1063/1.1676800
[5]   CALCULATED PHYSICAL PROPERTIES OF A WATER MOLECULE IN AN ICE-LIKE CLUSTER [J].
GUIDOTTI, C ;
LAMANNA, U ;
MAESTRO, M .
THEORETICA CHIMICA ACTA, 1972, 26 (02) :147-&
[6]   THEORETICAL CALCULATION OF STRONG COMPLEX-FORMATION BY HO2 RADICAL - HO2.H2O AND HO2.NH3 [J].
HAMILTON, EJ ;
NALEWAY, CA .
JOURNAL OF PHYSICAL CHEMISTRY, 1976, 80 (18) :2037-2040
[7]   Hydrogen-bond energy nonadditivity in water [J].
Hankins, D. ;
Moskowitz, J. W. ;
Stillinger, F. H. .
CHEMICAL PHYSICS LETTERS, 1970, 4 (09) :527-530
[8]   MOLECULAR ASSOCIATION OF METHANOL VAPOR [J].
INSKEEP, RG ;
KELLIHER, JM ;
MCMAHON, PE ;
SOMERS, BG .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (06) :1033-1036
[9]  
JOESTEN MD, 1974, HYDROGEN BONDING, P89
[10]   VIRAL COEFFICIENTS OF METHANOL FROM 150 TO 300 DEGREES C AND POLYMERIZATION IN VAPOR [J].
KELL, GS ;
MCLAURIN, GE .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (10) :4345-&