☰

Sergey A. Varganov, Ph.D. - Publications

Affiliations: 
2005 Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
Tree Info Similar researchers PubMed Report error

47 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
2023 Dergachev VD, Nakritskaia DD, Alexeev Y, Gaita-Ariño A, Varganov SA. Analytical nonadiabatic coupling and state-specific energy gradient for the crystal field Hamiltonian describing lanthanide single-ion magnets. The Journal of Chemical Physics. 159. PMID 37962443 DOI: 10.1063/5.0168996  0.732
2023 Dergachev ID, Dergachev VD, Rooein M, Mirzanejad A, Varganov SA. Predicting Kinetics and Dynamics of Spin-Dependent Processes. Accounts of Chemical Research. PMID 36926853 DOI: 10.1021/acs.accounts.2c00843  0.764
2022 Mirzanejad A, Varganov SA. The role of the intermediate triplet state in iron-catalyzed multi-state C-H activation. Physical Chemistry Chemical Physics : Pccp. PMID 36018581 DOI: 10.1039/d2cp02733j  0.757
2022 Dergachev VD, Nakritskaia DD, Varganov SA. Strong Relativistic Effects in Lanthanide-Based Single-Molecule Magnets. The Journal of Physical Chemistry Letters. 6749-6754. PMID 35852301 DOI: 10.1021/acs.jpclett.2c01627  0.404
2022 Dergachev VD, Rooein M, Dergachev ID, Lykhin AO, Mauban RC, Varganov SA. NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes. Topics in Current Chemistry (Cham). 380: 15. PMID 35201520 DOI: 10.1007/s41061-022-00366-w  0.515
2021 Mukherjee S, Varganov SA. Intersystem crossing and internal conversion dynamics with GAIMS-TeraChem: Excited state relaxation in 2-cyclopentenone. The Journal of Chemical Physics. 155: 174107. PMID 34742200 DOI: 10.1063/5.0068040  0.32
2021 Mukherjee S, Fedorov DA, Varganov SA. Modeling Spin-Crossover Dynamics. Annual Review of Physical Chemistry. PMID 33561360 DOI: 10.1146/annurev-physchem-101419-012625  0.411
2020 Pohlman AJ, Kaliakin DS, Varganov SA, Casey SM. Spin controlled surface chemistry: alkyl desorption from Si(100)-2×1 by nonadiabatic hydrogen elimination. Physical Chemistry Chemical Physics : Pccp. PMID 32661543 DOI: 10.1039/D0Cp01913E  0.681
2020 Lykhin AO, Varganov SA. Intersystem crossing in tunneling regime: T → S relaxation in thiophosgene. Physical Chemistry Chemical Physics : Pccp. PMID 32101195 DOI: 10.1039/C9Cp06956A  0.395
2020 Gerasimova MA, Tomilin FN, Malyar EY, Varganov SA, Fedorov DG, Ovchinnikov SG, Slyusareva EA. Fluorescence and photoinduced proton transfer in the protolytic forms of fluorescein: Experimental and computational study Dyes and Pigments. 173: 107851. DOI: 10.1016/J.Dyepig.2019.107851  0.355
2019 Ullah A, Cerdá J, Baldoví JJ, Varganov SA, Aragó J, Gaita-Ariño A. In Silico Molecular Engineering of Dysprosocenium-Based Complexes to Decouple Spin Energy Levels from Molecular Vibrations. The Journal of Physical Chemistry Letters. PMID 31755716 DOI: 10.1021/Acs.Jpclett.9B02982  0.472
2019 Kaliakin DS, Fedorov DG, Alexeev Y, Varganov SA. Locating minimum energy crossings of different spin states using the fragment molecular orbital method. Journal of Chemical Theory and Computation. PMID 31518121 DOI: 10.1021/Acs.Jctc.9B00641  0.766
2019 Upadhyay S, Dargyte U, Prater RP, Dergachev VD, Varganov SA, Tscherbul TV, Patterson D, Weinstein JD. Enhanced spin coherence of rubidium atoms in solid parahydrogen Physical Review B. 100. DOI: 10.1103/Physrevb.100.024106  0.495
2019 Upadhyay S, Dargyte U, Dergachev VD, Prater RP, Varganov SA, Tscherbul TV, Patterson D, Weinstein JD. Spin coherence and optical properties of alkali-metal atoms in solid parahydrogen Physical Review A. 100. DOI: 10.1103/Physreva.100.063419  0.463
2018 Lykhin AO, Ahmadvand S, Varganov SA. On the Electronic Transitions Responsible for C Diffuse Interstellar Bands. The Journal of Physical Chemistry Letters. PMID 30560674 DOI: 10.1021/Acs.Jpclett.8B03534  0.43
2018 Fedorov DA, Lykhin AO, Varganov SA. Predicting Intersystem Crossing Rates with AIMS-DFT Molecular Dynamics. The Journal of Physical Chemistry. A. PMID 29533626 DOI: 10.1021/Acs.Jpca.8B00883  0.519
2018 Rankin JA, Mauban RC, Fellner M, Desguin B, McCracken J, Hu J, Varganov SA, Hausinger RP. The Lactate Racemase Nickel-Pincer Cofactor Operates by a Proton-Coupled Hydride Transfer Mechanism. Biochemistry. PMID 29489337 DOI: 10.1021/Acs.Biochem.8B00100  0.355
2017 Fedorov DA, Derevianko A, Varganov SA. Erratum: "Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers" [J. Chem. Phys. 140, 184315 (2014)]. The Journal of Chemical Physics. 147: 209901. PMID 29195293 DOI: 10.1063/1.5004718  0.387
2017 Fedorov DA, Barnes DK, Varganov SA. Ab initio calculations of spectroscopic constants and vibrational state lifetimes of diatomic alkali-alkaline-earth cations. The Journal of Chemical Physics. 147: 124304. PMID 28964028 DOI: 10.1063/1.4986818  0.418
2016 dePolo GE, Kaliakin DS, Varganov SA. Spin-Forbidden Transitions Between Electronic States in the Active Site of Rubredoxin. The Journal of Physical Chemistry. A. PMID 27739682 DOI: 10.1021/Acs.Jpca.6B07717  0.516
2016 Fedorov DA, Pruitt SR, Keipert K, Gordon MS, Varganov SA. Ab Initio Multiple Spawning Method for Intersystem Crossing Dynamics: Spin-Forbidden Transitions between (3)B1 and (1)A1 States of GeH2. The Journal of Physical Chemistry. A. PMID 27064356 DOI: 10.1021/Acs.Jpca.6B01406  0.76
2016 Levine BG, Varganov SA. Special issue on excited states in complex systems International Journal of Quantum Chemistry. 116: 737-738. DOI: 10.1002/Qua.25130  0.305
2016 Lykhin AO, Kaliakin DS, Depolo GE, Kuzubov AA, Varganov SA. Nonadiabatic transition state theory: Application to intersystem crossings in the active sites of metal-sulfur proteins International Journal of Quantum Chemistry. 116: 750-761. DOI: 10.1002/Qua.25124  0.54
2015 Zaari RR, Varganov SA. Nonadiabatic transition state theory and trajectory surface hopping dynamics: intersystem crossing between (3)B1 and (1)A1 states of SiH2. The Journal of Physical Chemistry. A. 119: 1332-8. PMID 25635385 DOI: 10.1021/Jp509515E  0.469
2015 Kaliakin DS, Zaari RR, Varganov SA. Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site. The Journal of Physical Chemistry. A. 119: 1066-73. PMID 25603170 DOI: 10.1021/Jp510522Z  0.439
2015 Krasnov PO, Kuzubov AA, Kholtobina AS, Varganov SA, Kuzubova MV. Static polarization of the supramolecular dyads of fullerene C60 with porphyrin derivatives Journal of Porphyrins and Phthalocyanines. 19: 838-844. DOI: 10.1142/S108842461550056X  0.335
2015 Kaliakin DS, Zaari RR, Varganov SA. 3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry Journal of Chemical Education. 92: 2106-2112. DOI: 10.1021/Acs.Jchemed.5B00409  0.331
2014 Gaenko A, DeFusco A, Varganov SA, Martínez TJ, Gordon MS. Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-azomethane. The Journal of Physical Chemistry. A. 118: 10902-8. PMID 25329724 DOI: 10.1021/Jp508242J  0.533
2014 Fedorov DA, Derevianko A, Varganov SA. Accurate potential energy, dipole moment curves, and lifetimes of vibrational states of heteronuclear alkali dimers. The Journal of Chemical Physics. 140: 184315. PMID 24832278 DOI: 10.1063/1.4875038  0.419
2014 Ahmadvand S, Zaari RR, Varganov SA. Spin-forbidden and spin-allowed cyclopropenone (C-H2C 3O) formation in interstellar medium Astrophysical Journal. 795. DOI: 10.1088/0004-637X/795/2/173  0.421
2013 Yson RL, Gilgor JL, Guberman BA, Varganov SA. Protein induced singlet-triplet quasidegeneracy in the active site of [NiFe]-hydrogenase Chemical Physics Letters. 577: 138-141. DOI: 10.1016/J.Cplett.2013.05.059  0.402
2010 Varganov SA, Martínez TJ. Variational geminal-augmented multireference self-consistent field theory: two-electron systems. The Journal of Chemical Physics. 132: 054103. PMID 20136301 DOI: 10.1063/1.3303203  0.391
2006 Gordon MS, Ruedenberg K, Schmidt MW, Bytautas L, Dudley TJ, Nagata T, Olson R, Varganov S. Scalable correlated electronic structure theory Journal of Physics: Conference Series. 46: 229-233. DOI: 10.1088/1742-6596/46/1/032  0.622
2006 Varganov SA, Dudley TJ, Gordon MS. Predicted IR spectra of Ti8C12 and Ti8 C12 + Chemical Physics Letters. 429: 49-51. DOI: 10.1016/J.Cplett.2006.08.049  0.41
2006 Varganov SA, Gordon MS. Effects of strong electron correlations in Ti8C12 Met-Car Chemical Physics. 326: 97-106. DOI: 10.1016/J.Chemphys.2005.12.021  0.513
2005 Rintelman JM, Adamovic I, Varganov S, Gordon MS. Multireference second-order perturbation theory: how size consistent is "almost size consistent". The Journal of Chemical Physics. 122: 44105. PMID 15740233 DOI: 10.1063/1.1817891  0.698
2005 Olson RM, Varganov S, Gordon MS, Metiu H, Chretien S, Piecuch P, Kowalski K, Kucharski SA, Musial M. Where does the planar-to-nonplanar turnover occur in small gold clusters? Journal of the American Chemical Society. 127: 1049-52. PMID 15656643 DOI: 10.1021/Ja040197L  0.667
2005 Olson R, Varganov S, Gordon MS, Metiu H. The binding of the noble metal cations Au+ and Ag+ to propene Chemical Physics Letters. 412: 416-419. DOI: 10.1016/J.Cplett.2005.07.025  0.656
2004 Varganov SA, Olson RM, Gordon MS, Mills G, Metiu H. A study of the reactions of molecular hydrogen with small gold clusters. The Journal of Chemical Physics. 120: 5169-75. PMID 15267387 DOI: 10.1063/1.1647118  0.656
2003 Varganov SA, Olson RM, Gordon MS, Metiu H. The interaction of oxygen with small gold clusters Journal of Chemical Physics. 119: 2531-2537. DOI: 10.1063/1.1587115  0.684
2003 Varganov SA, Olson RM, Gordon MS, Mills G, Metiu H. Reply to a comment: Oxygen adsorption on Au clusters by W.T. Wallace, A.J. Leavitt, and R.J. Whetten Chemical Physics Letters. 368: 778-779. DOI: 10.1016/S0009-2614(02)01962-0  0.63
2002 Varganov SA, Avramov PV, Ovchinnikov SG, Gordon MS. A study of the isomers of C36 fullerence using single and multiference MP2 perturbation theory Chemical Physics Letters. 362: 380-386. DOI: 10.1016/S0009-2614(02)01117-X  0.562
2001 Kuzubov AA, Avramov PV, Ovchinnikov SG, Varganov SA, Tomilin FN. Theoretical study of the toroidal forms of carbon and related endohedral complexes with lithium Physics of the Solid State. 43: 1982-1988. DOI: 10.1134/1.1410643  0.332
2001 Kuzubov AA, Avramov PV, Ovchinnikov SG, Varganov SA, Tomilin FN. Electronic and atomic structures of the isomers of endohedral and exohedral fullerene complexes with two lithium atoms Physics of the Solid State. 43: 1794-1799. DOI: 10.1134/1.1402242  0.364
2000 Avramov PV, Varganov SA, Ovchinnikov SG. Atomic-core dynamics and the electronic structure of some endo-and exohedral complexes of fullerenes with light elements Physics of the Solid State. 42: 2168-2175. DOI: 10.1134/1.1324059  0.381
2000 Varganov SA, Avramov PV, Ovchinnikov SG. Ab initio calculations of endo- and exohedral C60 fullerene complexes with Li+ ion and the endohedral C60 fullerene complex with Li2 dimer Physics of the Solid State. 42: 388-392. DOI: 10.1134/1.1131218  0.307
2000 Varganov SA, Avramov PV, Ovchinnikov SG. Ab initio calculations of the endo- and exohedral complexes of fullerene C60 with Zn atoms Journal of Structural Chemistry. 41: 687-691. DOI: 10.1007/Bf02683932  0.303
Show low-probability matches.