Response to “Comment on ‘Computation of the pseudorotation matrix to satisfy the Eckart axis conditions’ ” [J. Chem. Phys. 122, 227101 (2005)]
نویسندگان
چکیده
منابع مشابه
Comment on "multireference configuration-interaction calculations for positronium halides" [J. Chem. Phys. 122, 054302 (2005)].
متن کامل
Comment on "Quasirelativistic theory equivalent to fully relativistic theory" [J. Chem. Phys. 123, 241102 (2005)].
The connection between the exact quasirelativistic approach developed in the title reference [W. Kutzelnigg and W. Liu, J. Chem. Phys. 123, 241102 (2005)] and the method of elimination of the small component in matrix form developed previously by Dyall is explicitly worked out. An equation that links Hermitian and non-Hermitian formulations of the exact quasirelativistic theory is derived. Besi...
متن کاملComment on "Dynamic ion association in aqueous solutions of sulfate" [J. Chem. Phys. 123, 034508 (2005)].
The "dynamic exchange" model of ion association proposed by Watanabe and Hamaguchi, [J. Chem. Phys.123, 034508 (2005)] for aqueous solutions of MgSO4 is shown to be inconsistent with the extensive information available from Raman, relaxation, and thermodynamic studies, all of which can be explained by the Eigen equilibrium model.
متن کاملComment on ‘ ‘ Surface diffusion near the points corresponding to continuous phase transitions ’ ’ † J . Chem . Phys .
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متن کاملthe effect of taftan pozzolan on the compressive strength of concrete in the environmental conditions of oman sea (chabahar port)
cement is an essential ingredient in the concrete buildings. for production of cement considerable amount of fossil fuel and electrical energy is consumed. on the other hand for generating one tone of portland cement, nearly one ton of carbon dioxide is released. it shows that 7 percent of the total released carbon dioxide in the world relates to the cement industry. considering ecological issu...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2005
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1935519