| 1 |
Vibrational analysis for the nuclear-electronic orbital method
Iordanov T, Hammes-Schiffer S
Journal of Chemical Physics, 118(21), 9489, 2003 |
| 2 |
Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations
Webb SP, Iordanov T, Hammes-Schiffer S
Journal of Chemical Physics, 117(9), 4106, 2002 |
| 3 |
Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions
Iordanov T, Billeter SR, Webb SP, Hammes-Schiffer S
Chemical Physics Letters, 338(4-6), 389, 2001 |
| 4 |
Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes
Billeter SR, Webb SP, Iordanov T, Agarwal PK, Hammes-Schiffer S
Journal of Chemical Physics, 114(15), 6925, 2001 |
| 5 |
Hydride transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and role of enzyme motion
Billeter SR, Webb SP, Agarwal PK, Iordanov T, Hammes-Schiffer S
Journal of the American Chemical Society, 123(45), 11262, 2001 |
