Nuclear-electronic orbital nonorthogonal configuration interaction approach
75. J. H. Skone, M. V. Pak, and S. Hammes-Schiffer, “Nuclear-electronic orbital nonorthogonal configuration interaction approach,” J. Chem. Phys. 123, 134108 (2005).
75. J. H. Skone, M. V. Pak, and S. Hammes-Schiffer, “Nuclear-electronic orbital nonorthogonal configuration interaction approach,” J. Chem. Phys. 123, 134108 (2005).
73. A. Reyes, M. V. Pak, and S. Hammes-Schiffer, “Investigation of isotope effects with the nuclear-electronic orbital approach”, J. Chem. Phys. 123, 064104 (2005).
72. C. Swalina, M. V. Pak, and S. Hammes-Schiffer, “Analysis of the nuclear-electronic orbital method for model hydrogen transfer systems,” J. Chem. Phys. 123, 014303 (2005).
66. M. V. Pak, C. Swalina, S. P. Webb, and S. Hammes-Schiffer, “Application of the nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and multiconfigurational wavefunctions,” Chemical Physics 304, 227-236 (2004).
57. T. Iordanov and S. Hammes-Schiffer, “Vibrational analysis for the nuclear-electronic orbital method,” J. Chem. Phys. 118, 9489-9496 (2003).
54. S. Webb, T. Iordanov, and S. Hammes-Schiffer, “Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations,” J. Chem. Phys. 117, 4106-4118 (2002).
51. P. K. Agarwal, S. R. Billeter,and S. Hammes-Schiffer, “Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis,” J. Phys. Chem. B 106, 3283-3293 (2002).
Sharon Hammes-Schiffer
Professor of Chemistry
Department of Chemistry
Frick Chemistry Laboratory
Princeton University
Princeton, New Jersey 08544
e-mail: shs566@princeton.edu