G2 with proper dissociation, improved accuracy, and less cost / P. L. Fast, M. L. Sanchez, J. C. Corchado, D. G. Truhlar, 1999. - 12 p. - Текст : непосредственный.
Corchado J.C. Integrated molecular orbital method with harmonic cap for molecular forces and its application to geometry optimization and the calculation of vibrational frequencies / J. C. Corchado, D. G. Truhlar, 1998. - 14 p. - Текст : непосредственный.
Molecular modeling of combustion kinetics.The abstraction of primary and secondary hydrogens by hydroxyl radical / W-P.Hu,I.Rossi,J.C.Corchado,D.G.Truhlar, 1997. - 30 p. - Текст : непосредственный.
Quantum dynamics of hydride transfer in enzyme catalysis / C.Alhambra,J.C.Corchado,M.L.Sanchez и др., 2000. - 24 p. - Текст : непосредственный.
Dual-level reaction-path dynamics (the /// approach to VTST with semiclassical tunneling).Application to OH + NH3 - H2O + NH2 / J.C.Corchado,J.Espinosa-Garcia,W.-P.Hu и др., 1994. - 36 p. - Текст : непосредственный.
Espinosa-Garc@wia J. The importance of quantum effects for C-H bond activation reactions / J.Espinosa-Garc@wia,J.C.Corchado,D.G.Truhlar, 1997. - 24 p. - Текст : непосредственный.
Multiconfiguration molecular mechanics algorithm for potential energy surfaces of chemical reactions / Y.Kim,J.C.Corchado,J.Villa и др., 1999. - 60 p. - Текст : непосредственный.
Interpolated algorithm for large-curvature tunneling calculations of transmission coefficients for variational transition state theory calculations of reaction rates / A.Fernandez-Ramos,D.G.Truhlar,J.C.Corchado,J.Espinosa-Garcia, 2002. - 4957-4960 p. p. - Текст : непосредственный.
Pu J. Test of variational transition state theory with multidemensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system / J.Pu,J.C.Corchado,D.G.Truhlar, 2001. - 8 p. - Текст : непосредственный.
Quantum mechanical tunneling in methyalmine dehydrogenase / C.Alhambra,M.L.Sanchez,J.C.Corchado и др., 2001. - 20 p. - Текст : непосредственный.
Albu T.V. Molecular mechanics for chemical reactions. A standard strategy for using multiconfiguration molecular mechanics for variational transition state theory with optimized multidimensional tunneling / T.V.Albu,J.C.Corchado,D.G.Truhlar, 2001. - 56, S-12 p. S-12 p. - Текст : непосредственный.
Dual-level direct dynamics calculations of the reaction rates for a jahn-teller reaction:hydrogen abstraction from CH4 or CD4 by 0(3P) / J.C.Corchado,J.Espinosa-Garcia,O.Roberto-Neto и др., 1998. - 48 p.,/15/ l. p.,/15/ l. - Текст : непосредственный.
Corchado J.C. Dual-level methods for electronic structure calculations of potential energy functions that use quantum mechanics as the lower level / J.C.Corchado,D.G.Truhlar, 1998. - Pag var. var. - Текст : непосредственный.
Canonical variational theory for enzyme kinetics with the protein mean force and multidimensional quantum mechanical tunneling dynamics. Theory and application to liver alcohol dehydrogenase / C.Alhambra,J.C.Corchado,M.L.Sanchez и др., 2001. - 53 p. - Текст : непосредственный.
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