Ph.D. 1993, Rostov University, Russia M.Sc. 1981, Rostov University, Russia

Theoretical, computational, quantum chemistry, density functional theory (DFT) and wave function based quantum chemical (QM) methods. Ab initio molecular dynamics (AIMD) simulation. Applications of QM/AIMD to gas-phase ion chemistry. Fundamentals of mass spectrometry. Gas-phase catalysis. Peptide cations (protonated and metallated) and radical cations: reaction mechanisms of formation and fragmentation. Modeling of polypeptides and active sites for proteomics.

C-K. Siu, Y. Ke, G. Orlova, A.C. Hopkinson, K.W. M. Siu “Dissociation of the N–Cα Bond and Competitive Formation of the [zn – H]●+ and [cn + 2H]+ Product Ions in Radical Peptide Ions Containing Tyrosine and Tryptophan”, J. Am. Soc. Mass Spectrom., 2008, 19, 1799-1807. Blagojevic, V.; Božović, A.; Orlova, G.; Bohme, D. K. “Catalytic Oxidation of H2 by N2O in the Gas Phase: O-Atom Transport with Atomic Metal Cations”, J. Phys. Chem. A, 2008, 112, 10141-10146. M. S. MacLennan, K.N. Sutherland, G. Orlova “Fragmentations and Proton-Transfer Mechanisms of Gaseous Radical-Cationic Tryptophan: A Theoretical Study”, J. Mol. Struct. THEOCHEM, 2007, 2007, 822, 21-27. J. L. Snow, G. Orlova, V. Blagojevic, D. K. Bohme "Gas-Phase Ionic Synthesis of Amino Acids: Beta versus Alpha", J. Am. Chem. Soc., 2007, 129, 9910-9917. K. N. Sutherland; P. C. Mineau; G. Orlova " Radical-Cationic Gaseous Amino Acids: A Theoretical Study", J. Phys. Chem. A, 2007, 111, 7906-7914. M.M. Mohareb, K.K. Ghosh, G. Orlova, R. Palepu "SN,2 Reaction of Sulfonate Ester in the Presence of Alkyl Triphenyl Phosphonium Bromides and Mixed Cationic Systems", J. Phys. Org. Chem., 2006, 19, 281-290. C. F. Rodriquez; G. Orlova; Y. Guo; X. Li; C.-K. Siu; A. C. Hopkinson; K. W. M. Siu "Gaseous Bradikinin and Its Singly, Doubly and Triply Protonated Forms" J. Phys. Chem. B, 2006, 110, 7528-7537. C.N.W. Lam, S.O. Siu, G.Orlova, I.K. Chu "Macrocyclic Effect of Auxiliary Ligand on the Gas Phase Dissociation of Ternary Copper(II)-GGX Complexes" Rapid Commun. Mass Spectrom., 2006, 5, 790-796. Orlova, G.; Blagojevic, V.; Bohme, D. K. "The Water-Catalyzed Hydrolysis of the Radical Cation of Ketene in the Gas Phase: Theory and Experiment." J. Phys. Chem. A, 2006, 110, 8266-8274. Blagojevic, V.; Orlova, G.; Bohme, D. K. "Gas-Phase O-Atom Transport Catalysis by Atomic Cations: Reduction of N2O by CO", J. Am. Chem. Soc., 2005, 127, 3545-3555. El Aribi, H.; Orlova, G.; C. F. Rodriquez, Almeida, D. R. P.; C. F.; Hopkinson, A. C.; Siu, K. W. M. " Fragmentation Mechanisms of Product Ions from Protonated Tripeptides", J. Phys. Chem. B, 2004, 108, 18743-18749. Shi, T.; Orlova, G.; Guo, J.; Bohme, D.K.; Hopkinson, A. C.; Siu, K. W. M. "Existence of Doubly Charged Lead Monohydrate: Experimental Evidence and Theoretical Examination", J. Am. Chem. Soc., 2004, 126, 7975-7980. V. Blagojevic, G. K. Koyanagi, V. V. Lavrov, G. Orlova, D. K. Bohme, "Ion-Molecule reactions of W+ and WO+: Revised Values for IE(WO), OA(W+), D298(W-O) and DfHo,298(WO)", Chem. Phys. Lett. 2004, 389, 303-308. Lavrov, V. V.; Blagojevic, V.; Koyanagi, G. K.; Orlova, G.; Bohme, D.K. " Gas-Phase Oxidation and Nitration of First, Second and Third-Row Atomic Cations in Reactions with Nitrous Oxide: Periodicities in Reactivity", J. Phys. Chem. A., 2004, 108, 5610-5624. El Aribi, H.; Orlova, G.; Hopkinson, A. C.; Siu, K. W. M. "Gas-Phase Fragmentation Reactions of Protonated Aromatic Amino Acids: Concomitant and Consecutive Neutral Eliminations and Radical Cation Formations" J. Phys. Chem. A, 2004, 108, 3844-3853. Bagheri-Majdi, E.; Ke, Y.; Orlova, G.; Chu, I. K.; Hopkinson, A. C.; Siu, K. W. M. "Copper-Mediated Peptide Radical Ions in the Gas Phase", J. Phys. Chem. B., 2004, 108, 11170-11181. Yang, X.; Orlova, G.; Zhou, X. J.; Leung K. T. "A DFT Study on the Radical, Monomer and Dimer of -keto Pyruvic Acid: Equilibrium Structures and Vibrational Analysis of Stable Conformers" Chem. Phys. Lett., 2003, 308, 34. Orlova, G.; Goddard, J. D., and L. Yu. Brovko "A Theoretical Study of Amazing Firefly Bioluminescence: the Structure of the Light Emitters" J. Am. Chem. Soc., 2003, 125, 6962-6971. Chung M.-K.; Orlova G.; Goddard J. D.; Schlaf M.; Harris R.; Beveridge T. J.; White G.; Hallett F. R. "Regioselective Silylation of Sugars through Palladium Nano Particle Catalyzed Silane Alcoholysis" J. Am. Chem. Soc., 2002, 124,10508. Orlova, G.; Goddard, J. D. "Is Density Functional Theory Free from Symmetry Breaking? The Case of Linear Carbon Radical Cations: C3+, C5+, and C7+". Chem. Phys. Lett. , 2002, 363, 486. Tian, W-Q.; Orlova, G.; Goddard, J. D. "Consequences of Accidental Degeneracy within Density Functional Theory: Enigmatic Structure of Boron Nitrosyl", Chem. Phys. Lett., 2002, 356, 7-11. Orlova, G.; Goddard, J. D. "Practical Failures from the Inclusion of Exact Exchange: How Much Exact Exchange Is Appropriate?" Mol. Phys. (Special Issue in honor of Prof. E. R. Davidson), 2002, 100, 483-497. Mayo, P.; Orlova, G.; Goddard, J. D., Tam, W. "Remote Substituent Effects on the Oxymercuration of 2-Substituted Norbornenes: An Experimental and Theoretical Study" J. Org. Chem. 2001, 66, 5182-5191. Orlova, G.; Goddard, J. D. "Competition between Diradical Stepwise and Concerted Mechanisms in Chalcogeno-Diels-Alder Reactions: A Density Functional Study" J. Org. Chem., 2001, 66, 4026-4036. Orlova, G.; Goddard, J. D. "Density Functional Theory Predictions for Small Radicals Containing Boron and Aluminum: Broken Symmetry Problems and Solutions" Mol. Phys., 2000, 98, 961-966.