Tzvetelin D. Iordanov

Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations

Simon P. Webb, Tzvetelin D. Iordanov, Sharon Hammes‐Schiffer · The Journal of Chemical Physics · 2002 · 311 citations

Engineering, Nuclear Physics, Computational Chemistry +16

Hydride Transfer in Liver Alcohol Dehydrogenase:  Quantum Dynamics, Kinetic Isotope Effects, and Role of Enzyme Motion

Salomon R. Billeter, Simon P. Webb, Pratul K. Agarwal et al. · Journal of the American Chemical Society · 2001 · 204 citations

Free Energy, Engineering, Proton-coupled Electron Transfer +24

Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes

Salomon R. Billeter, Simon P. Webb, Tzvetelin D. Iordanov et al. · The Journal of Chemical Physics · 2001 · 124 citations

Engineering, Proton-coupled Electron Transfer, Hydride Transfer Reactions +18

The OH radical-H2O molecular interaction potential

Shiyu Du, Joseph S. Francisco, Gregory K. Schenter et al. · The Journal of Chemical Physics · 2006 · 72 citations

Engineering, Physics, O.oh Complex +12

Vibrational analysis for the nuclear–electronic orbital method

Tzvetelin D. Iordanov, Sharon Hammes‐Schiffer · The Journal of Chemical Physics · 2003 · 59 citations

Engineering, Nuclear Physics, Nuclear–electronic Orbital Method +17