Comment on "Dissociation of water under pressure"

被引:6
作者
Dellago, C [1 ]
Geissler, PL
Chandler, D
Hutter, J
Parrinello, M
机构
[1] Univ Rochester, Dept Chem, Rochester, NY 14627 USA
[2] MIT, Dept Chem, Cambridge, MA 02139 USA
[3] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[4] Univ Zurich, Inst Phys Chem, CH-8057 Zurich, Switzerland
[5] Ctr Svizzero Calcolo Sci, CH-6928 Manno, Switzerland
[6] Swiss Fed Inst Technol, CH-8093 Zurich, Switzerland
关键词
D O I
10.1103/PhysRevLett.89.199601
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A Comment on the Letter by Eric Schwegler et al., Phys. Rev. Lett. 87, 265501 (2001). The authors of the Letter offer a Reply. © 2002 The American Physical Society.
引用
收藏
页数:1
相关论文
共 6 条
[1]   Sampling ensembles of deterministic transition pathways [J].
Bolhuis, PG ;
Dellago, C ;
Chandler, D .
FARADAY DISCUSSIONS, 1998, 110 :421-436
[2]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[3]   Transition path sampling and the calculation of rate constants [J].
Dellago, C ;
Bolhuis, PG ;
Csajka, FS ;
Chandler, D .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (05) :1964-1977
[4]  
EIGEN M, 1955, Z ELEKTROCHEM, V59, P986
[5]   Autoionization in liquid water [J].
Geissler, PL ;
Dellago, C ;
Chandler, D ;
Hutter, J ;
Parrinello, M .
SCIENCE, 2001, 291 (5511) :2121-2124
[6]   Dissociation of water under pressure [J].
Schwegler, E ;
Galli, G ;
Gygi, F ;
Hood, RQ .
PHYSICAL REVIEW LETTERS, 2001, 87 (26) :265501-1