SIMPLE-MODELS FOR SOLVATION EFFECTS ON ELECTRONIC-TRANSITION ENERGIES - FORMALDEHYDE AND WATER

被引：40

作者：

BLAIR, JT

WESTBROOK, JD

LEVY, RM

KROGHJESPERSEN, K

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1989年 / 154卷 / 06期

关键词：

D O I：

10.1016/0009-2614(89)87146-5

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

页码：531 / 535

页数：5

共 25 条

[1] ABINITIO STUDY OF THE X-STATE,A-STATE,A-STATE AND B-STATE OF FORMALDEHYDE [J].

BELL, S ;

CRIGHTON, JS .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1985, 81 :1813-1830

[2] 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-+

[3]

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]

[4] *ANGENAHERTE, SPEKTROGRAPHISCHE BESTIMMUNG DER HYDRATATIONS-GLEICHGEWICHTSKONSTANTEN WASSRIGER FORMALDEHYDLOSUNGEN [J].

BIEBER, R ;

TRUMPLER, G .

HELVETICA CHIMICA ACTA, 1947, 30 (06) :1860-1865

[5] THE ELECTRONIC SPECTRUM OF FORMALDEHYDE [J].

BRAND, JCD .

JOURNAL OF THE CHEMICAL SOCIETY, 1956, (APR) :858-872

[6] LOOP-DRIVEN GRAPHICAL UNITARY GROUP-APPROACH - POWERFUL METHOD FOR THE VARIATIONAL DESCRIPTION OF ELECTRON CORRELATION [J].

BROOKS, BR ;

LAIDIG, WD ;

SAXE, P ;

HANDY, NC ;

SCHAEFER, HF .

PHYSICA SCRIPTA, 1980, 21 (3-4) :312-322

[7] 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-+

[8] ON THE ABINITIO EVALUATION OF THE SOLVENT SHIFT OF ELECTRONIC ABSORPTION-SPECTRA [J].

CIMIRAGLIA, R ;

MIERTUS, S ;

TOMASI, J .

CHEMICAL PHYSICS LETTERS, 1981, 80 (02) :286-290

[9] SPIN-RESTRICTED OPEN-SHELL SELF-CONSISTENT-FIELD THEORY [J].

DAVIDSON, ER .

CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :565-567

[10] MOLECULAR ORBITAL THEORY OF HYDROGEN-BOND .6. EFFECT OF HYDROGEN-BONDING ON N-] PI TRANSITION IN DIMERS ROHOCH2 [J].

DELBENE, JE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (20) :6517-6522

← 1 2 3 →