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	1.	M + Ng potential energy curves including spin-orbit coupling for M = K, Rb, Cs and Ng = He, Ne, Ar. [electronic resource] by Blank, L Weeks, David E Kedziora, Gary S Producer: 20120802 In: The Journal of chemical physics vol. 136 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. I. Formalism. [electronic resource] by Belcher, Lachlan T Kedziora, Gary S Weeks, David E Producer: 20191230 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. II. Derivative coupling terms and coupling angle for KHeA [electronic resource] by Belcher, Lachlan T Lewis, Charlton D Kedziora, Gary S Weeks, David E Producer: 20191230 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Observation of two discrete conductivity states in quinone-oligo(phenylene vinylene). [electronic resource] by Tsoi, Stanislav Griva, Igor Trammell, Scott A Kedziora, Gary Schnur, Joel M Lebedev, Nikolai Producer: 20100408 In: Nanotechnology vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Structural reorganizations control intermolecular conductance and charge trapping in paraquat-tetraphenylborate inverse photochemical cell. [electronic resource] by Lebedev, Nikolai Trammell, Scott A Dressick, Walter Kedziora, Gary S Griva, Igor Schnur, Joel M Producer: 20111230 In: Photochemistry and photobiology vol. 87 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Computation of the binding free energy of peptides to graphene in explicit water. [electronic resource] by Welch, Corrinne M Camden, Aerial N Barr, Stephen A Leuty, Gary M Kedziora, Gary S Berry, Rajiv J Producer: 20160523 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Bond breaking in epoxy systems: A combined QM/MM approach. [electronic resource] by Barr, Stephen A Kedziora, Gary S Ecker, Allison M Moller, James C Berry, Rajiv J Breitzman, Tim D Producer: 20170125 In: The Journal of chemical physics vol. 144 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. [electronic resource] by Lischka, Hans Shepard, Ron Müller, Thomas Szalay, Péter G Pitzer, Russell M Aquino, Adelia J A Araújo do Nascimento, Mayzza M Barbatti, Mario Belcher, Lachlan T Blaudeau, Jean-Philippe Borges, Itamar Brozell, Scott R Carter, Emily A Das, Anita Gidofalvi, Gergely González, Leticia Hase, William L Kedziora, Gary Kertesz, Miklos Kossoski, Fábris Machado, Francisco B C Matsika, Spiridoula do Monte, Silmar A Nachtigallová, Dana Nieman, Reed Oppel, Markus Parish, Carol A Plasser, Felix Spada, Rene F K Stahlberg, Eric A Ventura, Elizete Yarkony, David R Zhang, Zhiyong Publication details: The Journal of chemical physics Apr 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Advances in methods and algorithms in a modern quantum chemistry program package. [electronic resource] by Shao, Yihan Molnar, Laszlo Fusti Jung, Yousung Kussmann, Jörg Ochsenfeld, Christian Brown, Shawn T Gilbert, Andrew T B Slipchenko, Lyudmila V Levchenko, Sergey V O'Neill, Darragh P DiStasio, Robert A Lochan, Rohini C Wang, Tao Beran, Gregory J O Besley, Nicholas A Herbert, John M Lin, Ching Yeh Van Voorhis, Troy Chien, Siu Hung Sodt, Alex Steele, Ryan P Rassolov, Vitaly A Maslen, Paul E Korambath, Prakashan P Adamson, Ross D Austin, Brian Baker, Jon Byrd, Edward F C Dachsel, Holger Doerksen, Robert J Dreuw, Andreas Dunietz, Barry D Dutoi, Anthony D Furlani, Thomas R Gwaltney, Steven R Heyden, Andreas Hirata, So Hsu, Chao-Ping Kedziora, Gary Khalliulin, Rustam Z Klunzinger, Phil Lee, Aaron M Lee, Michael S Liang, Wanzhen Lotan, Itay Nair, Nikhil Peters, Baron Proynov, Emil I Pieniazek, Piotr A Rhee, Young Min Ritchie, Jim Rosta, Edina Sherrill, C David Simmonett, Andrew C Subotnik, Joseph E Woodcock, H Lee Zhang, Weimin Bell, Alexis T Chakraborty, Arup K Chipman, Daniel M Keil, Frerich J Warshel, Arieh Hehre, Warren J Schaefer, Henry F Kong, Jing Krylov, Anna I Gill, Peter M W Head-Gordon, Martin Producer: 20060908 In: Physical chemistry chemical physics : PCCP vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)