Tzvetelin D. Iordanov, Ph.D. - Publications

2003 Pennsylvania State University, State College, PA, United States 
theoretical and computational methods for describing chemical reactions in condensed phases and at interfaces

10 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2012 Rajendran A, Tsuchiya T, Hirata S, Iordanov TD. Predicting properties of organic optoelectronic materials: asymptotically corrected density functional study. The Journal of Physical Chemistry. A. 116: 12153-62. PMID 23157673 DOI: 10.1021/Jp3084315  0.399
2009 Iordanov TD, Davis JL, Masunov AME, Levenson A, Przhonska OV, Kachkovski AD. 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. DOI: 10.1002/Qua.22403  0.436
2008 Iordanov TD. 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. DOI: 10.1016/J.Theochem.2007.10.038  0.338
2006 Du S, Francisco JS, Schenter GK, Iordanov TD, Garrett BC, Dupuis M, Li J. The OH radical-H2O molecular interaction potential. The Journal of Chemical Physics. 124: 224318. PMID 16784285 DOI: 10.1063/1.2200701  0.366
2006 Iordanov TD, Schenter GK, Garrett BC. Sensitivity analysis of thermodynamic properties of liquid water: a general approach to improve empirical potentials. The Journal of Physical Chemistry. A. 110: 762-71. PMID 16405351 DOI: 10.1021/Jp0538868  0.384
2003 Iordanov T, Hammes-Schiffer S. Vibrational analysis for the nuclear-electronic orbital method Journal of Chemical Physics. 118: 9489-9496. DOI: 10.1063/1.1569913  0.645
2002 Webb SP, Iordanov T, Hammes-Schiffer S. Multiconfigurational nuclear-electronic orbital approach: Incorporation of nuclear quantum effects in electronic structure calculations Journal of Chemical Physics. 117: 4106-4118. DOI: 10.1063/1.1494980  0.657
2001 Billeter SR, Webb SP, Agarwal PK, Iordanov T, Hammes-Schiffer S. 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. PMID 11697969 DOI: 10.1021/Ja011384B  0.65
2001 Billeter SR, Webb SP, Iordanov T, Agarwal PK, Hammes-Schiffer S. 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. DOI: 10.1063/1.1356441  0.66
2001 Iordanov T, Billeter SR, Webb SP, Hammes-Schiffer S. Partial multidimensional grid generation method for efficient calculation of nuclear wavefunctions Chemical Physics Letters. 338: 389-397. DOI: 10.1016/S0009-2614(01)00298-6  0.631
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