SOLVENT EFFECTS ON OPTICAL-ABSORPTION SPECTRA - THE 1A1-]1A2 TRANSITION OF FORMALDEHYDE IN WATER

被引:134
作者
BLAIR, JT [1 ]
KROGHJESPERSEN, K [1 ]
LEVY, RM [1 ]
机构
[1] RUTGERS STATE UNIV,DEPT CHEM,NEW BRUNSWICK,NJ 08903
关键词
D O I
10.1021/ja00200a009
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:6948 / 6956
页数:9
相关论文
共 62 条
[1]   FREE-ENERGY PERTURBATION METHOD FOR CHEMICAL-REACTIONS IN THE CONDENSED PHASE - A DYNAMICAL-APPROACH BASED ON A COMBINED QUANTUM AND MOLECULAR MECHANICS POTENTIAL [J].
BASH, PA ;
FIELD, MJ ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (26) :8092-8094
[2]   DETERMINATION OF PROTEIN STRUCTURES IN SOLUTION USING NMR DATA AND IMPACT [J].
BASSOLINO, DA ;
HIRATA, F ;
KITCHEN, DB ;
KOMINOS, D ;
PARDI, A ;
LEVY, RM .
INTERNATIONAL JOURNAL OF SUPERCOMPUTER APPLICATIONS AND HIGH PERFORMANCE COMPUTING, 1988, 2 (02) :41-61
[3]  
BEIBER R, 1947, HELV CHIM ACTA, V30, P1860
[4]   AB-INITIO STUDY OF X1A1,ALPHA-3A'' AND A1A'' STATES OF FORMALDEHYDE [J].
BELL, S .
MOLECULAR PHYSICS, 1979, 37 (01) :255-263
[5]   FORMALDEHYDE - COMPREHENSIVE SPECTRAL INVESTIGATION AS A FUNCTION OF SOLVENT AND TEMPERATURE [J].
BERCOVICI, T ;
BECKER, RS ;
KING, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (08) :3956-+
[6]  
Berendsen H. J. C., 1981, INTERMOLECULAR FORCE, P331, DOI [DOI 10.1007/978-94-015-7658-1_21, DOI 10.1007/978-94-015-7658-1-21]
[7]   SIMPLE-MODELS FOR SOLVATION EFFECTS ON ELECTRONIC-TRANSITION ENERGIES - FORMALDEHYDE AND WATER [J].
BLAIR, JT ;
WESTBROOK, JD ;
LEVY, RM ;
KROGHJESPERSEN, K .
CHEMICAL PHYSICS LETTERS, 1989, 154 (06) :531-535
[8]   THE ELECTRONIC SPECTRUM OF FORMALDEHYDE [J].
BRAND, JCD .
JOURNAL OF THE CHEMICAL SOCIETY, 1956, (APR) :858-872
[9]   A MODEL FOR THE GEOMETRIES OF VANDERWAALS COMPLEXES [J].
BUCKINGHAM, AD ;
FOWLER, PW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1985, 63 (07) :2018-2025
[10]   ELECTRIC DIPOLE MOMENT OF FORMALDEHYDE IN FIRST 3A2 EXCITED STATE [J].
BUCKINGHAM, AD ;
RAMSAY, DA ;
TYRRELL, J .
CANADIAN JOURNAL OF PHYSICS, 1970, 48 (10) :1242-+