AN ABINITIO STUDY OF INTERMOLECULAR HYDROGEN-BONDING BETWEEN SMALL PEPTIDE-FRAGMENTS

被引:49
作者
SAPSE, AM
FUGLER, LM
COWBURN, D
机构
[1] CUNY,GRAD SCH,NEW YORK,NY 10019
[2] CUNY JOHN JAY COLL CRIMINAL JUSTICE,NEW YORK,NY 10019
关键词
D O I
10.1002/qua.560290521
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:1241 / 1251
页数:11
相关论文
共 16 条
[1]  
BINKLEY JS, GAUSSIAN 80
[2]   A NON-EMPIRICAL STUDY OF HYDROGEN BONDING IN DIMER OF FORMAMIDE [J].
DREYFUS, M ;
MAIGRET, B ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1970, 17 (02) :109-&
[3]   GENERALIZATION OF THE BORN EQUATION TO NONSPHERICAL SOLVENT CAVITIES [J].
GERSTEN, JI ;
SAPSE, AM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3786-3788
[4]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS [J].
HEHRE, WJ ;
STEWART, RF ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (06) :2657-+
[6]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES [J].
HEHRE, WJ ;
DITCHFIELD, R ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) :2257-+
[7]  
HINTON JF, 1977, J AM CHEM SOC, V99, pP349
[8]   HYDROGEN-BONDING ABILITY OF AMIDE GROUP [J].
JOHANSSON, A ;
KOLLMAN, P ;
ROTHENBERG, S ;
MCKELVEY, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (12) :3794-3800
[10]   OPTIMIZED GEOMETRIES OF SADDLE-POINT ROTAMERS OF FORMAMIDE [J].
NALEWAJSKI, RF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (01) :41-46