MONTE-CARLO SIMULATIONS OF LIQUID TETRAHYDROFURAN INCLUDING PSEUDOROTATION

被引：61

作者：

CHANDRASEKHAR, J

JORGENSEN, WL

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 77卷 / 10期

关键词：

D O I：

10.1063/1.443681

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：5073 / 5079

页数：7

共 26 条

[1] CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS [J].

ALLINGER, NL ;

CHUNG, DY .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (22) :6798-6803

[2]

ALLINGER NL, 1980, QCPE395

[3]

BEVERIDGE DL, ADV CHEM

[4] STUDIES OF SOLVATION PHENOMENA OF IONS AND ION PARIS IN DIMETHOXYETHANE AND TETRAHYDROFURAN [J].

CARVAJAL, C ;

TOLLE, KJ ;

SMID, J ;

SZWARC, M .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (24) :5548-&

[5] GENERAL DEFINITION OF RING PUCKERING COORDINATES [J].

CREMER, D ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1354-1358

[6] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .23. PSEUDOROTATION IN SATURATED 5-MEMBERED RING COMPOUNDS [J].

CREMER, D ;

POPLE, JA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1358-1367

[7] RING PUCKERING IN 5-MEMBERED RINGS .2. MICROWAVE SPECTRUM DIPOLE MOMENT AND BARRIER TO PSEUDOROTATION IN TETRAHYDROFURAN [J].

ENGERHOLM, GG ;

LUNTZ, AC ;

GWINN, WD ;

HARRIS, DO .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2446-+

[8] ELECTRON DIFFRACTION STUDY OF GASEOUS TETRAHYDROFURAN [J].

GEISE, HJ ;

ADAMS, WJ ;

BARTELL, LS .

TETRAHEDRON, 1969, 25 (15) :3045-&

[9] SPECTROSCOPIC EVIDENCE FOR PSEUDOROTATION .2. FAR-INFRARED SPECTRA OF TETRAHYDROFURAN AND 1,3-DIOXOLANE [J].

GREENHOUSE, JA ;

STRAUSS, HL .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :124-+

[10] QUANTUM AND STATISTICAL MECHANICAL STUDIES OF LIQUIDS .10. TRANSFERABLE INTERMOLECULAR POTENTIAL FUNCTIONS FOR WATER, ALCOHOLS, AND ETHERS - APPLICATION TO LIQUID WATER [J].

JORGENSEN, WL .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (02) :335-340

← 1 2 3 →