Rubik Asatryan

PhD

Rubik Asatryan

PhD

Rubik Asatryan

PhD

Research Topics

Computational chemistry and theory of chemical reactions

Contact Information

704 O'Brian Hall

Buffalo NY, 14260

Phone: (716) 645-1744

Fax: (716) 645-3822

rubikasa@buffalo.edu

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Publications

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  • R. Asatryan, H. Bennadji, J.W. Bozzelli, E. Ruckenstein, L. Khachatryan, “Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p-Coumaryl Alcohol”, J. Phys. Chem. A 121, 3352-3371 (2017). link PDF
  • R. Asatryan, E. Ruckenstein, J. Hachmann, “Revisiting the polytopal rearrangements in penta-coordinate d(7)-metallocomplexes: modified Berry pseudorotation, octahedral switch, and butterfly isomerization”, Chem. Sci. 8, 5512-5525 (2017). link
  • L. Khachatryan, M. Xu, A. Wu, M. Pechagin, R. Asatryan, “Radicals and molecular products from the gas-phase pyrolysis of lignin model compounds. Cinnamyl alcohol”, J. Anal. Appl. Pyrolysis 121, 75-83 (2016). link
  • M. X. Xu, L. Khachatryan, A. Baev, R. Asatryan, “Radicals from the gas-phase pyrolysis of a lignin model compound: p-coumaryl alcohol”, RSC Adv. 6, 62399-62405 (2016). link
  • R. Asatryan, E. Ruckenstein, “Effect of "Reducible" Titania Promotion on the Mechanism of H-Migration in Pd/SiO2 Clusters”, Catal. Lett. 146, 398-423 (2016). link
  • R. Asatryan, E. Ruckenstein, “Dihydrogen Catalysis: A Remarkable Avenue in the Reactivity of Molecular Hydrogen”, Catal. Rev.-Sci. Eng. 56, 403-475 (2014). link PDF
  • R. Asatryan, E. Ruckenstein, “Mechanism of Iron Carbonyl-Catalyzed Hydrogenation of Ethylene. 1. Theoretical Exploration of Molecular Pathways”, J. Phys. Chem. A 117, 10912-10932 (2013). link PDF
  • F. Jin, R. Asatryan, J.W. Bozzelli, “Thermodynamic and kinetic analysis on the reaction of dimethyl sulfide radical with oxygen”, Int. J. Quantum Chem. 112, 1945-1958 (2012). link
  • R. Asatryan, J. W. Bozzelli, E. Ruckenstein, “Dihydrogen Catalysis: A Degradation Mechanism for N2-Fixation Intermediates”, J. Phys. Chem. A 116, 11618-11642 (2012). link PDF
  • I.E. Kohl, R. Asatryan, H. Bao, “No oxygen isotope exchange between water and APS-sulfate at surface temperature: Evidence from quantum chemical modeling and triple-oxygen isotope experiments”, Geochim. Cosmochim. Acta 95, 106-118 (2012). link PDF
  • J. Hudzik , R. Asatryan, J.W. Bozzelli, “Thermochemical Properties of exo-Tricyclo-[5.2.1.0(2,6)]decane (JP-10 Jet Fuel) and Derived Tricyclodecyl Radicals (vol 114, pg 9545, 2010)”, J. Phys. Chem. A 115, 9081-9081 (2011). link
  • A. Gunturu, R. Asatryan, J. W. Bozzelli, “Thermochemistry, bond energies and internal rotor barriers of methyl sulfinic acid, methyl sulfinic acid ester and their radicals”, J. Phys. Org. Chem. 24, 366-377 (2011). link
  • S. Snitsiriwat, R. Asatryan, J. W. Bozzelli, “Structures, Internal Rotor Potentials, and Thermochemical Properties for a Series of Nitrocarbonyls, Nitroolefins, Corresponding Nitrites, and Their Carbon Centered Radicals”, J. Phys. Chem. A 115, 13921-13930 (2011). link
  • L. Khachatryan, J. Adounkpe, R. Asatryan, B. Dellinger, “Radicals from the Gas-Phase Pyrolysis of Catechol: 1. o-Semiquinone and ipso-Catechol Radicals”, J. Phys. Chem. A 114, 2306-2312 (2010). link
  • S. Snitsiriwat, R. Asatryan, J. W. Bozzelli, “Thermochemical Properties for n-Propyl, iso-Propyl, and tert-Butyl Nitroalkanes, Alkyl Nitrites, and Their Carbon-Centered Radicals”, Int. J. Chem. Kinet. 42, 181-199 (2010). link
  • R. Asatryan, J. W. Bozzelli, G. da Silva, S. Swinnen, M. T. Nguyen, “Formation and Decomposition of Chemically Activated and Stabilized Hydrazine”, J. Phys. Chem. A 114, 6235-6249 (2010). link PDF
  • R. Asatryan, J. W. Bozzelli, “Chain Branching and Termination in the Low-Temperature Combustion of n-Alkanes: 2-Pentyl Radical + O2, Isomerization and Association of the Second O2”, J. Phys. Chem. A 114, 7693-7708 (2010). link
  • R. Asatryan, G. da Silva, J. W. Bozzelli, “Quantum Chemical Study of the Acrolein (CH2CHCHO) + OH + O2 Reactions”, J. Phys. Chem. A 114, 8302-8311 (2010). link PDF
  • J. M. Hudzik, R. Asatryan, J. W. Bozzelli, “Thermochemical Properties of exo-Tricyclo[5.2.1.0(2,6)]decane (JP-10 Jet Fuel) and Derived Tricyclodecyl Radicals”, J. Phys. Chem. A 114, 9545-9553 (2010). link
  • L. Khachatryan, R. Asatryan, C. McFerrin, J. Adounkpe, B. Dellinger, “Radicals from the Gas-Phase Pyrolysis of Catechol. 2. Comparison of the Pyrolysis of Catechol and Hydroquinone”, J. Phys. Chem. A 114, 10110-10116 (2010). link
  • R. Asatryan, “Molecular hydrogen assisted transport of H atoms”, Chem. Phys. Lett. 498, 263-269 (2010). link PDF
  • G. da Silva, J.W. Bozzelli, R. Asatryan, “Hydroxyl Radical Initiated Oxidation of s-Triazine: Hydrogen Abstraction Is Faster than Hydroxyl Addition”, J. Phys. Chem. A 113, 8596-8606 (2009). link
  • H.A. Grigoryan, A.A. Hambardzumyan, M.V. Mkrtchyan, V.O. Topuzyan, G.P. Halebyan, R.S. Asatryan, “alpha,beta-dehydrophenylalanine choline esters, a new class of reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase”, Chem.-Biol. Interact. 171, 108-116 (2008). link
  • R. Asatryan, J. W. Bozzelli, “Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide”, Phys. Chem. Chem. Phys. 10, 1769-1780 (2008). link
  • R. Asatryan, J. W. Bozzelli, J. M. Simmie, “Thermochemistry of methyl and ethyl nitro, RNO2, and nitrite, RONO, organic compounds”, J. Phys. Chem. A 112, 3172-3185 (2008). link
  • R. Asatryan, J. W. Bozzelli, J. M. Simmie, “Thermochemistry for enthalpies and reaction paths of nitrous acid isomers”, Int. J. Chem. Kinet. 39, 378-398 (2007). link
  • H.A. Grigoryan, A.A. Hambardzumyan, M.V. Mkrtchyan, V.O. Topuzyan, G.P. Halebyan, R.S. Asatryan, “α,β-dehydrophenylalanine choline esters: potent reversible inhibitors of human acetylcholinesterase and butyrylcholinesterase”, El. J.Natural Sci. 1/6, 14-20 (2006).
  • H.A. Grigoryan , A. A. Ambartsumyan , M. V. Mkrtchyan, V. O. Topuzyan, G. P. Alebyan, R. S. Asatryan, “Synthesis and anticholinesterase activity of 2-(dimethylamino)ethyl and choline esters of n-substituted a,b-dehydroamino acids”, Pharm. Chem. J. 40, 135 -140 (2006). link
  • R. Asatryan, A. Davtyan, L. Khachatryan, B. Dellinger, “Molecular modeling studies of the reactions of phenoxy radical dimers: Pathways to dibenzofurans”, J. Phys. Chem. A 109, 11198-11205 (2005). link
  • B. Dellinger , L. Khachatryan , R. Asatryan , “Kinetic Model for the Gas-Phase Formation of Polychlorinated Dibenzofurans”, Organohal. Compds 66 , 1030-1034 (2004). PDF
  • L. Khachatryan, R. Asatryan, B. Dellinger, “An elementary reaction kinetic model of the gas-phase formation of polychlorinated dibenzofurans from chlorinated phenols”, J. Phys. Chem. A 108, 9567-9572 (2004). link
  • L. Khachatryan, R. Asatryan, B. Dellinger, “Development of expanded and core kinetic models for the gas phase formation of dioxins from chlorinated phenols”, Chemosphere 52, 695-708 (2003). link
  • R.S. Asatryan, N.S. Mailyan, L. Khachatryan, B. Dellinger, “Electronic elasticity-toxicity relationships for polychlorinated dibenzo-p-dioxin congeners”, Chemosphere 48, 227-236 (2002). link
  • R. Asatryan , A.H. Davtyan , L. Khachatryan , B. Dellinger , “Theoretical Study of Open-Shell ipso-Addition and bis-keto Dimer Interconversion Reactions Related to Gas-Phase Formation of PCDD/Fs from Chlorinated Phenols”, Organohal. Compds 56, 277-280 (2002). PDF
  • R. Asatryan , L. Khachatryan , B. Dellinger , N. Mailyan , L.Sahakyan , “Electronic Elasticity as a New Determinant of PCDD Congeners Toxicity”, Organohal. Compds 56, 21-24 (2002). PDF
  • R.S. Asatryan, A.G. Davtyan, N.S. Mailyan, S.D. Arsentiev, A.A. Mantashyan , “On the Mechanism of Gas Phase Oxidation of Unsaturated Hydrocarbons”, Arm. Chem. J. 51, 82-99 (1998).
  • V.G. Kharatian, N.S. Mailyan, R.S. Asatryan, “Radical Co-polymerization of 1-Methyl-5-Vinyl- Tetrazole with Styrene”, Arm. Chem. J. 44, 321 -326 (1991).
  • R.S. Asatryan, N.S. Mailyan, V.G. Kharatyan, G.V. Asratyan, “Simulation of the Radical Active-Centers and Reactivity of Vinyl Monomers in Radical Copolymerization”, Polymer Science Series B 33, 91-94 (1991).
  • A.A. Muradyan, T.A. Garibyan, R.S. Asatryan, “Displacement of NO2 Fragment from the Supported Silver Nitrate by Gas-Phase Allyl Radicals”, Dokl. Akad. Nauk Arm. SSR (Reports Acad. Sci. Arm. SSR.) 88, 224-227 (1989).
  • V.G. Kharatian, N.S. Mailyan, R.S. Asatryan, M.Ts. Gasparyan, F.S. Kinoyan, G.V. Asratyan, G.V. Darbinyan, E.G. Matsoyan, “Co-polymerization of 1-Methyl-5-Vinyl- and 2- Methyl-5-Vinyl- Tetrazoles with Acetonitrile”, Arm. Chem. J. 42, 736-740 (1989).
  • R.S. Asatryan, N.S. Mailyan , “Electrical Conductivity of the Conjugated Heteropolyarylenes”, Arm. Chem. J. 42, 402 -404 (1989).
  • R.S. Asatryan, N.S. Mailyan, R.O. Matevosyan, “Influence of Symmetry of the Unit Cell on Electronic Properties of Conjugated Heteropolyarylenes”, Theor. Exp.Chem 24, 471-474 (1988). PDF
  • R.S. Asatryan, N.S. Mailyan, O.M. Tsyguleva, “On the Reactivity of the Conjugated Monomers in the Process of Formation of the Polymer Complexes with Iodine”, Organic Reactivity 25, 53-57 (1988). PDF
  • R.S. Asatryan, “Reactivity of the Simplest Radical - the Hydrogen-Atom: Quantum-Chemical Aspects”, Organic Reactivity 25, 3-52 (1988).
  • R.S. Asatryan, N.S. Mailyan, “Effect of Heteroatoms on Electric Properties of Conjugated Polymers. One-Electron Band Approach”, Polymer. Sci. USSR 30, 1135-1141 (1988). PDF
  • E.F. Simonov, R.S. Asatryan, E.S. Filatov, “Deamination and Decarboxylation of Amino Acids Under the Action of Tritium Atoms”, Soviet Radiochem. 29, 220-224 (1987).
  • S.G. Grigoryan, A.M. Arzumonyan, G.A. Panosyan, R.S. Asatryan, A.A. Matnishyan, “Study of Structure and Properties of Polymers of Vinylacetylene Derivatives”, Polymer Science Series B 27, 643-646 (1985).
  • R.S. Asatryan, S.G. Grigoryan, A.M. Arzumanyan, A.A. Matnishyan, “Quantum-Chemical Study of the Mechanism of Radical Polymerization of Substututed Vinyl Acetylenes”, Polymer. Sci. USSR 27, 2831-2836 (1985). PDF
  • R.S. Asatryan, I.A. Abronin, “Quantum-Chemical Analysis of the Potential-Energy Surface in the Reaction of Tritum Atoms with Methane”, Russ. J. Phys. Chem. 56, 653-658 (1982).
  • R.S. Asatryan, K.E. German, E.S. Filatov, A.N. Nesmeyanov, “Mechanism of the Reaction Between Atomic Tritium and the Functional Groups of Amino Acids. Quantum Chemical Calculations and Experiment”, Soviet Radiochem. 24, 469-471 (1982).
  • R.S. Asatryan, “A Non-EmpiricalL Calculation of the Potential Surface of the Reaction CH3NH2 + T -> NH2T + CH3”, J. Struct. Chem. 23, 620-622 (1982).
  • R.S. Asatryan, I.A. Abronin, A.N. Nesmeyanov, “Quantum-Chemical Investigation of the Potential-Energy Surface of the T+CH3NH2 Reaction”, Russ. Chem. Bull. 31, 1730-1733 (1982). link
  • R.S. Asatryan, I.A. Abronin, “CNDO/2 Investigation of the Relative Reactivity of Hydrogen-Atoms of Amino Acids in H-Abstraction Reaction by Thermal Tritium Atoms”, Vestn. Mosk. Univ. Ser.2 Khim. 21, 584-588 (1980).
  • V.G. Dashevskii, R.S. Asatryan, A.P. Baranov, “Interligand Interaction and 3-Dimensional Structure of Coordination Compounds - Compounds of the Tris(Bidentate)M Type”, J. Struct. Chem. 19, 678-686 (1978). PDF
  • V.G. Dashevskii, R.S. Asatryan, A.P. Baranov, “Interligand Interaction and the 3-Dimensional Structure of Coordination-Compounds - Monodentate Ligands”, J. Struct. Chem. 19, 404-411 (1978). link PDF

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