DYNAMICAL CHARGE-TRANSFER THROUGH HYDROGEN-BONDS - HARTREE-FOCK CALCULATIONS OF VIBRATIONAL PROPERTIES OF FORMIC-ACID MONOMER AND CYCLIC DIMER

被引:64
作者
BOSI, P
ZERBI, G
CLEMENTI, E
机构
[1] CNR,IST CHIM MACROMOLEC,I-20133 MILAN,ITALY
[2] MONTEDISON SPA,IST RICH DONEGANI,NOVARA,ITALY
关键词
D O I
10.1063/1.434423
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:3376 / 3386
页数:11
相关论文
共 33 条
[1]   NORMAL VIBRATIONS OF CRYSTALLINE POLYGLYCINE-I [J].
ABE, Y ;
KRIMM, S .
BIOPOLYMERS, 1972, 11 (09) :1817-&
[2]   A REINVESTIGATION OF STRUCTURE OF MONOMER AND DIMER FORMIC ACID BY GAS ELECTRON DIFFRACTION TECHNIQUE [J].
ALMENNINGEN, A ;
BASTIANSEN, O ;
MOTZFELDT, T .
ACTA CHEMICA SCANDINAVICA, 1969, 23 (08) :2848-+
[3]   PROBLEM OF VIBRATIONAL-SPECTRUM AND STRUCTURE OF ICE IH - LATTICE DYNAMICAL CALCULATIONS [J].
BOSI, P ;
TUBINO, R ;
ZERBI, G .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (09) :4578-4586
[4]  
BOSI P, 1976, CHEM PHYS LETT, V28, P571
[5]   CNDO CALCULATION OF DIPOLE-MOMENT DERIVATIVES AND INFRARED INTENSITIES OF FORMALDEHYDE [J].
BRUNS, RE ;
PERSON, WB .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (06) :2585-2592
[6]   STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .12. HYDROGEN BRIDGES IN GUANINE-CYTOSINE PAIR AND IN DIMERIC FORM OF FORMIC ACID [J].
CLEMENTI, E ;
MEHL, J ;
VONNIESS.W .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :508-&
[7]  
Clementi E, 1967, J COMPUT PHYS, V2, P223
[8]   VIBRATIONAL ANALYSIS OF ACETONE ACETALDEHYDE AND FORMALDEHYDE [J].
COSSEE, P ;
SCHACHTS.JH .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :97-&
[9]  
Decius J. C., 1955, MOLECULAR VIBRATIONS
[10]   LATTICE DYNAMICS OF METHANOL - HYDROGEN BONDING AND INFRARED ABSORPTION [J].
DEMPSTER, AB ;
ZERBI, G .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (08) :3600-&