Quantum dynamics of chemical reactions

被引：52

作者：

Clary, David C. ^{[1
]}

机构：

[1] Univ Oxford, Dept Phys & Theoret Chem, Oxford OX1 3QZ, England

来源：

SCIENCE | 2008年 / 321卷 / 5890期

关键词：

D O I：

10.1126/science.1157718

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Substantial recent progress has been made in developing theory to account for quantum effects on chemical reactions.

引用

页码：789 / 791

页数：3

共 40 条

[1] Quantum scattering calculations on chemical reactions [J].

Althorpe, SC ;

Clary, DC .

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2003, 54 :493-529

[2] The O(1D)+H2 reaction at 56 meV collision energy:: A comparison between quantum mechanical, quasiclassical trajectory, and crossed beam results [J].

Aoiz, FJ ;

Bañares, L ;

Castillo, JF ;

Herrero, VJ ;

Martínez-Haya, B ;

Honvault, P ;

Launay, JM ;

Liu, X ;

Lin, JJ ;

Harich, SA ;

Wang, CC ;

Yang, X .

JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (24) :10692-10703

[3]

CLARY DC, 1990, ANNU REV PHYS CHEM, V41, P61

[4] QUANTUM REACTIVE SCATTERING OF 4-ATOM REACTIONS WITH NONLINEAR GEOMETRY - OH+H-2-]H2O+H [J].

CLARY, DC .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (10) :7298-7310

[5] Molecular potential-energy surfaces for chemical reaction dynamics [J].

Collins, MA .

THEORETICAL CHEMISTRY ACCOUNTS, 2002, 108 (06) :313-324

[6] Interference of quantized transition-state pathways in the H+D2→D+HD chemical reaction [J].

Dai, DX ;

Wang, CC ;

Harich, SA ;

Wang, XY ;

Yang, XM ;

Chao, SD ;

Skodje, RT .

SCIENCE, 2003, 300 (5626) :1730-1734

[7] Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase [J].

Dybala-Defratyka, Agnieszka ;

Paneth, Piotr ;

Banerjee, Ruma ;

Truhlar, Donald G. .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (26) :10774-10779

[8] Ab initio quantum chemistry:: Methodology and applications [J].

Friesner, RA .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2005, 102 (19) :6648-6653

[9] Quantum wave packet study of nonadiabatic effects in O(1D)+H2→OH+H [J].

Gray, SK ;

Petrongolo, C ;

Drukker, K ;

Schatz, GC .

JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (47) :9448-9459

[10] Theories of reactive scattering [J].

Hu, Wenfang ;

Schatz, George C. .

JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (13)

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