Tzvetelin D. Iordanov, Ph.D.
Affiliations: | 2003 | Pennsylvania State University, State College, PA, United States |
Area:
theoretical and computational methods for describing chemical reactions in condensed phases and at interfacesGoogle:
"Tzvetelin Iordanov"Mean distance: 9.76 | S | N | B | C | P |
Parents
Sign in to add mentor| Sharon Hammes-Schiffer | grad student | 2003 | Penn State | |
| (Novel methodologies for investigation of nuclear quantum effects in hydrogen transfer reactions.) | ||||
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Publications
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| Rajendran A, Tsuchiya T, Hirata S, et al. (2012) Predicting properties of organic optoelectronic materials: asymptotically corrected density functional study. The Journal of Physical Chemistry. A. 116: 12153-62 |
| Iordanov TD, Davis JL, Masunov AME, et al. (2009) Symmetry breaking in cationic polymethine dyes, part 1: Ground state potential energy surfaces and solvent effects on electronic spectra of streptocyanines International Journal of Quantum Chemistry. 109: 3592-3601 |
| Iordanov TD. (2008) A case study in performance evaluation of Density Functional Tight Binding method in two-layer ONIOM method Journal of Molecular Structure: Theochem. 850: 152-159 |
| Du S, Francisco JS, Schenter GK, et al. (2006) The OH radical-H2O molecular interaction potential. The Journal of Chemical Physics. 124: 224318 |
| Iordanov TD, Schenter GK, Garrett BC. (2006) Sensitivity analysis of thermodynamic properties of liquid water: a general approach to improve empirical potentials. The Journal of Physical Chemistry. A. 110: 762-71 |
| Iordanov T, Hammes-Schiffer S. (2003) Vibrational analysis for the nuclear-electronic orbital method Journal of Chemical Physics. 118: 9489-9496 |
| Webb SP, Iordanov T, Hammes-Schiffer S. (2002) Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations Journal of Chemical Physics. 117: 4106-4118 |
| Billeter SR, Webb SP, Agarwal PK, et al. (2001) Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion. Journal of the American Chemical Society. 123: 11262-72 |
| Billeter SR, Webb SP, Iordanov T, et al. (2001) Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes Journal of Chemical Physics. 114: 6925-6936 |
| Iordanov T, Billeter SR, Webb SP, et al. (2001) Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions Chemical Physics Letters. 338: 389-397 |