PRESENTATIONS AT CONFERENCES

1."The Balance of Nondynamical and Dynamical Electron Correlation in DFT and Chemistry."  Orlova, G. and Goddard, J. D.  American Conference on Theoretical Chemistry, June,1999.
2."Symmetry Breaking Problems in the Prediction of Radicals and Singlet Biradicals by Density Functional Theory." Orlova, G., Goddard, J. D.  40th Sanibel Symposium, February, 2000.
3."Does Density Functional Theory Based Quantum Chemistry Tell Us Anything New about Symmetry Allowed and Forbidden Reactions? The Diels-Alder and Ring-Opening Reactions of Selected Organochalcogen Compounds." Goddard, J.D, Orlova, G. 40th Sanibel Symposium, February, 2000.
4. "Density Functional Studies of Diradical and Concerted Mechanisms for Chalcogeno-Diels-Alder Reaction" Goddard, J. D.; Orlova, G. Symposium 125 at the PACIFICHEM 2000 Congress, Computational Quantum Chemistry: Experimental and Theoretical Perspectives, December, 2000.
5."Practical Failings in Energetic, Structural, and Other Predictions Resulting from the Inclusion of Exact Exchange in Density Functional Theory" Goddard, J.D, Orlova, G. 41st Sanibel Symposium, February, 2001.
  6."Some Observation on Spatial Symmetry within Spin-Polarized Kohn-Sham Density Functional Theory" Orlova G., Goddard, J. D.  14th Canadian Symposium on Theoretical Chemistry, Ottawa, Canada, August 4-9, 2001.
7. "Regioselective Silylation of Monosaccharides through Palladium Colloid Catalyzed Silane Alcoholysis." M.-K. Chung, M. Schlaf, G. Orlova and J. D. Goddard, Department of Chemistry, University of Guelph, Guelph, ON N1G 2W1; G. White and F. R. Hallett, Department of Physics, University of Guelph, Guelph, ON N1G 2W1; R. Harris and T. J. Beveridge, Department of Microbiology, University of Guelph, Guelph, ON N1G 2W1.  The 34th Inorganic Discussion Weekend, Waterloo, October 27/28, 2001.
8."Regioselective Silylation of Sugars through Palladium Nano Particle Catalyzed Silane Alcoholysis." M.-K. Chung, M. Schlaf, G. Orlova and J. D. Goddard, Department of Chemistry, University of Guelph, Guelph, ON N1G 2W1; G. White and F. R. Hallett, Department of Physics, University of Guelph, Guelph, ON N1G 2W1; R. Harris and T. J. Beveridge, Department of Microbiology, University of Guelph, Guelph, ON N1G 2W1.  The 85th CSC Conference, Vancouver, June 1-5, 2002.
9."Conservation and Nonconservation of Spatial Symmetry in Kohn-Sham Density Functional Theory", G. Orlova, Department of Chemistry and Biochemistry, University of Guelph, Guelph, ON N1G 2W1, The 85th CSC Conference, Vancouver, June 1-5, 2002.
10."Predictions on the Bioluminescence of Luciferins: Chemical Reactivity and Electronic Spectra from Density Functional Theory", J. D. Goddard and G. Orlova, Department of Chemistry and Biochemistry, University of Guelph, Guelph, ON N1G 2W1, Kohn Symposium, NRC-CNRC, Ottawa, June 20-21, 2002.
11."Fragmentation of Protonated Peptides: Fragment Structures and Mechanisms"  El Aribi, H.; Grewal, N.; Rodriquez, C.F.; Orlova, G.; Hopkinson, A. C.; Siu, K.W.M., Dep. Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3;  51st ASMS conference on mass spectrometry and allied topics: Montreal, June 8-12, 2003.
12."Gas-Phase Structures of Singly, Doubly, and Triply Protonated Bradykinin Ions as Determined by ab initio Molecular Orbital Calculations and Collisional Cross-Section Measurements Using Ion Mobility", Guo, Y.; Orlova, G.; Rodriques, C. F.; Wang, J.; Javahery, R.; Ling, Y.; Thomson, B.; Hopkinson, A. C.; Siu, K. W. M.,    Dep. Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3;  51st ASMS conference on mass spectrometry and allied topics: Montreal, June 8-12, 2003.
13."Fragmentation and Charge Transfer in Gas-Phase Solvation Complexes of Triply-Charged Metal Ions", Patel, S.; Orlova, G.; Hopkinson, A. C.; Siu, K. W. M.,  Dep. Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3;  51st ASMS conference on mass spectrometry and allied topics: Montreal, June 8-12, 2003.
14. "Biradicals and the Bioluminescence: The Formation and Structures of the Light Emitters in Fireflies", J. D. Goddard, L. Y. Brovko, G. Orlova, Department of Chemistry and Biochemistry, University of Guelph, Guelph, ON N1G 2W1, 39thIUPAC Congress and 86th Conference of The Canadian Society for Chemistry, Ottawa, August 10-15, 2003.
15.'Radical Cations of Peptides" Siu, K. W. M., Bagheri-Majdi, E.; Ke, Y.; Orlova, G.; Hopkinson, A. C. Dep. Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3; 16th International Mass Spectrometry Conference, Edinburgh, Scotland, Aug.31-Sept.5, 2003.
16.'Fragmentation Mechanisms of Molecular Radical Cations of Peptides' Orlova, G.;  Ke, Y.;  Hopkinson, A. C.; Siu, K. W. M. Dep. Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada;  52d ASMS conference on mass spectrometry and allied topics: , May 23-27, 2004, Nashville, Tennessee, USA.
17.Shi, T.; Orlova, G.;  Siu, K. W. M. Department of Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada;  52d ASMS conference on mass spectrometry and allied topics: , May 23-27, 2004, Nashville, Tennessee, USA.
18. "Collision Induced N2 Loss in 1,2-Benzoquinonediimine Ruthenium Cations." Francis, G. J.; Orlova, G.; Lever, A. B. P.; Bohme, D.K.   Department of Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada;  52d ASMS conference on mass spectrometry and allied topics: , May 23-27, 2004, Nashville, Tennessee, USA.
19. "DFT Based QC/AIMD Approach: Application to Gas-Phase Chemistry" Orlova, G.; Hopkinson, A. C.; Bohme, D. K.;  Siu, K. W. M.  Department of Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3;  Woo, T. K. Dep. Chemistry, the University of Western Ontario, London, ON, N6A 5B7; 87th Canadian Chemistry Conference, May 28-June 2, 2004,  London, ON, Canada.
20.'Molecular Radical Cations of Oligopeptides" Ke, Y.; Orlova, G.; Hopkinson, A.C.; Siu, K. W. M. Department of Chemistry & Centre for Research in MS, York University, Toronto, ON, Canada M3J 1P3; 87th Canadian Chemistry Conference, May 28-June 2, 2004,  London, ON, Canada.
21."Formation and Reactivity of Radical Cations of Aromatic Amino Acids" P.C. Mineau, K. Sutherland, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada;  Atlantic Theoretical Chemistry Symposium 2005, August12-14, Sackville, NB, Canada.
22."Theoretical Study of Radical Cations of Aliphatic Amino Acids: the Stabilizing Factors" K. Sutherland, P.C. Mineau, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; Atlantic Theoretical Chemistry Symposium 2005, August12-14, Sackville, NB, Canada.
23."The Formation of Interstellar Amino Acids: Alpha versus Beta" G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; Atlantic Theoretical Chemistry Symposium 2005, August12-14, Sackville, NB, Canada.
24."Facile Generation and Characterization of Cationic Radical Peptides: Ligand Effect and Peptide Structures",  Corey. N.W. Lam1; Galina Orlova2; Julia Laskin3; Ivan K. Chu1 ;
1 Dep. of Chemistry/The University of Hong Kong, Hong Kong, China, 2 Dep. of Chemistry, St. Francis Xavier University, Antigonish, Canada; 3 Pacific Northwest National Laboratory, Richland, WA.
54th ASMS Conference on Mass Spectrometry, 2006, May 28-June 1, Seattle, WA, USA.
25. "The Lowest-Energy Structures of Radical -Cationic Amino Acids and Polypeptides"       G. Orlova, P.C. Mineau, K. Sutherland, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 89th Canadian Chemistry Conference, May 27-31, 2006, Halifax, NS, Canada.
26."Radical -Cationic Amino Acids"       P.C. Mineau, G. Orlova, K. Sutherland, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 89th Canadian Chemistry Conference, May 27-31, 2006, Halifax, NS, Canada.
27."Radical -Cationic Amino Acids"    K. Sutherland,   P.C. Mineau,  G. Orlova,  Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 89th Canadian Chemistry Conference, May 27-31, 2006, Halifax, NS, Canada.
28. "Theoretical Treatment of Gaseous Biomolecules: Bradykinin and Its Singly, Doubly and Triply Protonated Forms" G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; ACE-net Institute for Materials Modeling and Simulation workshop, May 22-25, 2007,  St. Francis Xavier University, Antigonish, NS.
29."Proton-transfer and electron-transfer dissociations of Cu(II) complexes of amino acids" G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 90th Canadian Chemistry Conference, May 26-30, 2007, Winnipeg, MN, Canada.

30. A Theoretical Examination of Neutral and Radical-Cationic Basic and Aromatic Amino Acids” K. Gillies, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; Atlantic Theoretical Chemistry Symposium, August 2-4, 2007, St. John’s, NL, Canada

31. “Gaseous Neutral and Radical-Cationic Aliphatic Amino Acids: A Theoretical Study”, N. McNeil, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; Atlantic Theoretical Chemistry Symposium, August 2-4, 2007, St. John’s, NL, Canada

32. “Fragmentation and Proton Transfer Mechanisms of Radical-Cationic Tryptophan: A Theoretical Study”, M. MacLennan, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; Atlantic Theoretical Chemistry Symposium, August 2-4, 2007, St. John’s, NL, Canada

33.  “Competitive Proton-Transfer and Electron-Transfer Dissociations of Ternary Cu(II)-Histidine Complexes” G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 16th Canadian Symposium on Theoretical Chemistry, August 4-9, 2007, St. John’s, NL, Canada.

34.   “Ionization of Basic and Aromatic Amino Acids: A Theoretical Study” K. Gillies, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 16th Canadian Symposium on Theoretical Chemistry, August 4-9, 2007, St. John’s, NL, Canada.

35.   “Ionization of Gaseous Aliphatic Amino Acids: A Theoretical Study” N. McNeil, G. Orlova Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 16th Canadian Symposium on Theoretical Chemistry, August 4-9, 2007, St. John’s, NL, Canada.

36.   “Theoretical DFT Study on Fragmentations and Proton Transfer Mechanisms of Radical-Cationic Tryptophan” M. MacLennan, G. Orlova, Department of Chemistry, St. Francis Xavier University, Antigonish, NS, B2G 2W5,  Canada; 16th Canadian Symposium on Theoretical Chemistry, August 4-9, 2007, St. John’s, NL, Canada.



INVITED SEMINARS
 
1."Density Functional Based Quantum Chemistry: Structures and Reactivity", McMaster University, Department of Chemistry, September 14, 2000.
2."Spatial Symmetry Breaking in Kohn-Sham Density Functional Theory", York University, Department of Chemistry, November 22, 2001.
3."Density Functional Theory for Predictions on Open-Shell Systems: Ground and Excited States", Department of Chemistry, University of Waterloo, May 24, 2002.
4."Molecular Radical Cations in the Gas Phase: Theoretical Perspective" Department of Chemistry, the University of Calgary,  April 15, 2004.
5."Radical Cations in the Gas Phase- Theoretical Examination" Department of Chemistry, the University of Western Ontario, May 5, 2004.

6."Molecular Radical Cations in the Gas Phase- Theoretical Perspective" Department of Chemistry, St. Mary's University, September 23, 2004.

7. ‘Peptide Radical Cations: A Theoretical Study’ Department of Chemistry, Brock University, October 5, 2007.

 

 


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