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Dmitry Y. Zubarev, Ph.D. - Publications

Affiliations: 
2008 Chemistry and Biochemistry Utah State University, Logan, UT, United States 
Area:
theoretical physical chemistry
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27 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 Zubarev DY, Frenklach M, Lester WA. From aromaticity to self-organized criticality in graphene. Physical Chemistry Chemical Physics : Pccp. 14: 12075-8. PMID 22872129 DOI: 10.1039/C2Cp41675A  0.339
2012 Zubarev DY, Austin BM, Lester WA. Quantum Monte Carlo for the x-ray absorption spectrum of pyrrole at the nitrogen K-edge. The Journal of Chemical Physics. 136: 144301. PMID 22502512 DOI: 10.1063/1.3700803  0.312
2011 You X, Zubarev DY, Lester WA, Frenklach M. Thermal decomposition of pentacene oxyradicals. The Journal of Physical Chemistry. A. 115: 14184-90. PMID 22054037 DOI: 10.1021/Jp208974B  0.321
2011 Zubarev DY, You X, McClean J, Lester WA, Frenklach M. Patterns of local aromaticity in graphene oxyradicals Journal of Materials Chemistry. 21: 3404-3409. DOI: 10.1039/C0Jm04360E  0.329
2010 Wang J, Domin D, Austin B, Zubarev DY, McClean J, Frenklach M, Cui T, Lester WA. A diffusion Monte Carlo study of the O-H bond dissociation of phenol. The Journal of Physical Chemistry. A. 114: 9832-5. PMID 20825240 DOI: 10.1021/Jp103010G  0.35
2010 Wang J, Zubarev DY, Philpott MR, Vukovic S, Lester WA, Cui T, Kawazoe Y. Onset of diradical character in small nanosized graphene patches. Physical Chemistry Chemical Physics : Pccp. 12: 9839-44. PMID 20532344 DOI: 10.1039/C003708G  0.38
2010 Zubarev DY, Domin D, Lester WA. Quantitative characteristics of qualitative localized bonding patterns. The Journal of Physical Chemistry. A. 114: 3074-9. PMID 19817374 DOI: 10.1021/Jp906914Y  0.452
2010 Zubarev DY, Robertson N, Domin D, McClean J, Wang J, Lester WA, Whitesides R, You X, Frenklach M. Local electronic structure and stability of pentacene oxyradicals Journal of Physical Chemistry C. 114: 5429-5437. DOI: 10.1021/Jp9058615  0.4
2010 Zubarev DY, Boldyrev AI. Multiple aromaticity, multiple antiaromaticity, and conflicting aromaticity in planar clusters Science and Technology of Atomic, Molecular, Condensed Matter and Biological Systems. 1: 219-267. DOI: 10.1016/B978-0-444-53440-8.00005-7  0.45
2009 Zubarev DY, Boldyrev AI. Deciphering chemical bonding in golden cages. The Journal of Physical Chemistry. A. 113: 866-8. PMID 19175335 DOI: 10.1021/Jp808103T  0.624
2008 Zubarev DY, Boldyrev AI. Revealing intuitively assessable chemical bonding patterns in organic aromatic molecules via adaptive natural density partitioning. The Journal of Organic Chemistry. 73: 9251-8. PMID 18980326 DOI: 10.1021/Jo801407E  0.563
2008 Zubarev DY, Boldyrev AI. Developing paradigms of chemical bonding: adaptive natural density partitioning. Physical Chemistry Chemical Physics : Pccp. 10: 5207-17. PMID 18728862 DOI: 10.1039/B804083D  0.61
2008 Zubarev DY, Boldyrev AI. Comment on "Instability of the Al4(2-) 'all-metal aromatic' ion and its implications". The Journal of Physical Chemistry. A. 112: 7984-5; discussion 7. PMID 18671377 DOI: 10.1021/Jp802760N  0.423
2008 Averkiev BB, Zubarev DY, Wang LM, Huang W, Wang LS, Boldyrev AI. Carbon avoids hypercoordination in CB6(-), CB6(2-), and C2B5(-) planar carbon-boron clusters. Journal of the American Chemical Society. 130: 9248-50. PMID 18582042 DOI: 10.1021/Ja801211P  0.552
2008 Sergeeva AP, Zubarev DY, Zhai HJ, Boldyrev AI, Wang LS. A photoelectron spectroscopic and theoretical study of B16- and B16(2-): an all-boron naphthalene. Journal of the American Chemical Society. 130: 7244-6. PMID 18479137 DOI: 10.1021/Ja802494Z  0.689
2008 Zubarev DY, Averkiev BB, Zhai HJ, Wang LS, Boldyrev AI. Aromaticity and antiaromaticity in transition-metal systems. Physical Chemistry Chemical Physics : Pccp. 10: 257-67. PMID 18213412 DOI: 10.1039/B713646C  0.536
2007 Zhai HJ, Averkiev BB, Zubarev DY, Wang LS, Boldyrev AI. Delta aromaticity in [Ta3O3]-. Angewandte Chemie (International Ed. in English). 46: 4277-80. PMID 17465436 DOI: 10.1002/Anie.200700442  0.621
2007 Call ST, Zubarev DY, Boldyrev AI. Global minimum structure searches via particle swarm optimization. Journal of Computational Chemistry. 28: 1177-86. PMID 17299774 DOI: 10.1002/Jcc.20621  0.494
2007 Zubarev DY, Boldyrev AI, Li J, Zhai HJ, Wang LS. On the chemical bonding of gold in auro-boron oxide clusters AunBO- (n = 1-3). The Journal of Physical Chemistry. A. 111: 1648-58. PMID 17298038 DOI: 10.1021/Jp0657437  0.617
2007 Zubarev DY, Boldyrev AI. Comprehensive analysis of chemical bonding in boron clusters. Journal of Computational Chemistry. 28: 251-68. PMID 17111395 DOI: 10.1002/Jcc.20518  0.576
2006 Zubarev DY, Li J, Wang LS, Boldyrev AI. Theoretical probing of deltahedral closo-auroboranes B(x)Au(x)2- (x = 5-12). Inorganic Chemistry. 45: 5269-71. PMID 16813385 DOI: 10.1021/Ic060615I  0.48
2006 Cui LF, Huang X, Wang LM, Zubarev DY, Boldyrev AI, Li J, Wang LS. Sn12(2-): stannaspherene. Journal of the American Chemical Society. 128: 8390-1. PMID 16802791 DOI: 10.1021/Ja062052F  0.599
2006 Zubarev DY, Boldyrev AI, Li X, Wang LS. Observation of triatomic species with conflicting aromaticity: AlSi2- and AlGe2-. The Journal of Physical Chemistry. B. 110: 9743-6. PMID 16706418 DOI: 10.1021/Jp060690E  0.581
2006 Zubarev DY, Alexandrova AN, Boldyrev AI, Cui LF, Li X, Wang LS. On the structure and chemical bonding of Si6(2-) and Si6(2-) in NaSi6(-) upon Na+ coordination. The Journal of Chemical Physics. 124: 124305. PMID 16599672 DOI: 10.1063/1.2177254  0.628
2006 Zhai HJ, Wang LS, Zubarev DY, Boldyrev AI. Gold apes hydrogen. The structure and bonding in the planar B7Au2- and B7Au2 clusters. The Journal of Physical Chemistry. A. 110: 1689-93. PMID 16450996 DOI: 10.1021/Jp0559074  0.647
2005 Zubarev DY, Boldyrev AI, Li X, Cui LF, Wang LS. Chemical bonding in Si5(2-) and NaSi5(-) via photoelectron spectroscopy and ab initio calculations. The Journal of Physical Chemistry. A. 109: 11385-94. PMID 16354025 DOI: 10.1021/Jp0526748  0.552
2005 Zubarev DY, Boldyrev AI. Appraisal of the performance of nonhybrid density functional methods in characterization of the Al4C molecule. The Journal of Chemical Physics. 122: 144322. PMID 15847537 DOI: 10.1063/1.1873532  0.515
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