A NEW (CARTESIAN) REACTION-PATH MODEL FOR DYNAMICS IN POLYATOMIC SYSTEMS, WITH APPLICATION TO H-ATOM TRANSFER IN MALONALDEHYDE

被引：86

作者：

RUF, BA

MILLER, WH

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV CHEM SCI,BERKELEY,CA 94720

来源：

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II | 1988年 / 84卷

关键词：

D O I：

10.1039/f29888401523

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：1523 / 1534

页数：12

共 77 条

[1] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE [J].

BABAMOV, VK ;

MARCUS, RA .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1790-1798

[2]

BASILEVSKII MV, 1981, CHEM PHYS, V60, P349

[3] NATURAL COORDINATES FOR POLYATOMIC REACTIONS [J].

BASILEVSKY, MV .

CHEMICAL PHYSICS, 1977, 24 (01) :81-89

[4] THE TOPOGRAPHY OF POTENTIAL-ENERGY SURFACES [J].

BASILEVSKY, MV .

CHEMICAL PHYSICS, 1982, 67 (03) :337-346

[5] MICROWAVE SPECTROSCOPIC STUDY OF MALONALDEHYDE (3-HYDROXY-2-PROPENAL) .2. STRUCTURE, DIPOLE-MOMENT, AND TUNNELING [J].

BAUGHCUM, SL ;

DUERST, RW ;

ROWE, WF ;

SMITH, Z ;

WILSON, EB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (21) :6296-6303

[6] MICROWAVE SPECTROSCOPIC STUDY OF MALONALDEHYDE .3. VIBRATION-ROTATION INTERACTION AND ONE-DIMENSIONAL MODEL FOR PROTON TUNNELING [J].

BAUGHCUM, SL ;

SMITH, Z ;

WILSON, EB ;

DUERST, RW .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (08) :2260-2265

[7] A MONTE-CARLO APPROACH FOR THE REAL-TIME DYNAMICS OF TUNNELING SYSTEMS IN CONDENSED PHASES [J].

BEHRMAN, EC ;

JONGEWARD, GA ;

WOLYNES, PG .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) :6277-6281

[8] STRUCTURE AND TUNNELING DYNAMICS OF MALONALDEHYDE - A THEORETICAL-STUDY [J].

BICERANO, J ;

SCHAEFER, HF ;

MILLER, WH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (09) :2550-2553

[9] QUANTUM TUNNELLING IN A DISSIPATIVE SYSTEM [J].

CALDEIRA, AO ;

LEGGETT, AJ .

ANNALS OF PHYSICS, 1983, 149 (02) :374-456

[10] REACTION SURFACE DESCRIPTION OF INTRAMOLECULAR HYDROGEN-ATOM TRANSFER IN MALONALDEHYDE [J].

CARRINGTON, T ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (08) :4364-4370

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