Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Xin Gui Zhao"'
Publikováno v:
The Journal of Chemical Physics. 97:6369-6383
We present calculations of the rate constants and secondary kinetic isotope effects for the gas‐phase SN2 reaction Cl−(H2O)+CH3Cl based on a new chloride–water potential‐energy function that has been specifically converged for heavy‐water i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7f061212a2865c09ae48b2f59ff06bf5
https://doi.org/10.1063/1.463698
https://doi.org/10.1063/1.463698
Publikováno v:
The Journal of Chemical Physics. 94:5544-5558
The isotopic fractionation factor in the monohydrated gas‐phase cluster Cl−(H2O), i.e., the equilibrium constant for Cl−(H2O)(g)+D2O(g)⇄Cl−(D2O)(g) +H2O(g), is used to test models used for solution‐phase simulations and to test semiempiri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::081119b9ab9ff2ca02de3182916b151c
https://doi.org/10.1063/1.460490
https://doi.org/10.1063/1.460490
Autor:
Donald G. Truhlar, Yi Ping Liu, Susan C. Tucker, Àngels González-Lafont, David Maurice, Xin Gui Zhao, Da-hong Lu, Gillian C. Lynch, Thanh N. Truong
Publikováno v:
ACS Symposium Series ISBN: 9780841224711
Isotope Effects in Gas-Phase Chemistry
Isotope Effects in Gas-Phase Chemistry
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::17712cf68e42b7f10ca77894cec6a1c2
https://doi.org/10.1021/bk-1992-0502.ch002
https://doi.org/10.1021/bk-1992-0502.ch002
Autor:
JACK A. KAYE, Donald G. Truhlar, Da-hong Lu, Susan C. Tucker, Xin Gui Zhao, Angels Gonzalez-Lafont, Thanh N. Truong, David Maurice, Yi-Ping Liu, Gillian C. Lynch, Hiroyasu Koizumi, George C. Schatz, Joel M. Bowman, Albert F. Wagner, Lawrence B. Harding, B. Katz, R. Bersohn, J. V. Michael, P. H. Wine, A. J. Hynes, J. M. Nicovich, Susan Baer, Donald Fleming, Donald Arseneau, Masayoshi Senba, Alicia Gonzalez, M. H. Thiemens, S. M. Anderson, K. Mauersberger, J. Morton, B. Schueler, N. Wessel Larsen, T. Pedersen, J. Sehested, Howard S. Carman, Cornelius E. Klots, Robert N. Compton, Peter B. Armentrout, K. S. Griffith, Gregory I. Gellene, A. A. Viggiano, Robert A. Morris, Jane M. van Doren, John F. Paulson, H. H. Michels, R. H. Hobbs, Christopher E. Dateo, Susan T. Graul, Mark D. Brickhouse, Robert R. Squires, Moshe Shapiro, R. Vasudev, S. J. Wategaonkar, S. W. Novicki, J. H. Shan, S. G. Westre, P. B. Kelly, Y. P. Zhang, L. D. Ziegler, J. E. Combariza, C. Daniel, B. Just, E. Kades, E. Kolba, J. Manz, W. Malisch, G. K. Paramonov, B. Warmuth, William R. Peifer