Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. I. Formalism by Belcher, Lachlan T., Kedziora, Gary S., Weeks, David E.

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Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. II. Derivative coupling terms and coupling angle for KHeA2Π1/2⇔KHeB2Σ1/2 by Belcher, Lachlan T., Lewis, Charlton D., Kedziora, Gary S., Weeks, David E.

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Thermochemical and kinetic investigation of the hydrazine borane as an alternative to hydrazine: The N2H4BH3 + H reactional system by Rodrigues, Augusto R., Belcher, Lachlan T., Spada, Rene F.K.

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Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Q a t Diagnostic by do Monte, Silmar A., Spada, Rene F. K., Alves, Rodolpho L. R., Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

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Quantification of the Ionic Character of Multiconfigurational Wave Functions: The Qat Diagnostic by do Monte, Silmar A, Spada, Rene F K, Alves, Rodolpho L R, Belcher, Lachlan, Shepard, Ron, Lischka, Hans, Plasser, Felix

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry 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

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry by Lischka, Hans, Shepard, Ron, Müller, Thomas, Szalay, Péter G., Pitzer, Russell M., Aquino, Adelia 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 C., Matsika, Spiridoula, do Monte, Silmar A., Nachtigallová, Dana, Nieman, Reed, Oppel, Markus, Parish, Carol A., Plasser, Felix, Spada, Rene K., Stahlberg, Eric A., Ventura, Elizete, Yarkony, David R., Zhang, Zhiyong

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Analytic non-adiabatic derivative coupling terms for spin-orbit MRCI wavefunctions. II. Derivative coupling terms and coupling angle for KHeA 2 Π 1/2 ⇔KHeB 2 Σ 1/2 by Belcher, Lachlan T, Lewis, 3rd, Charlton D, Kedziora, Gary S, Weeks, David E

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Quantification of the ionic character of multiconfigurational wave functions: the Qat diagnostic by Silmar A do Monte, Rene FK Spada, Rodolpho LR Alves, Lachlan Belcher, Ron Shepard, Hans Lischka, Felix Plasser

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Gradients and Non-Adiabatic Derivative Coupling Terms for Spin-Orbit Wavefunctions by Belcher, Lachlan T

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Non-Adiabatic Energy Surfaces of the B+H2 Systems by Belcher, Lachlan T

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The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry by Hans Lischka, Ron Shepard, Thomas Müller, Péter G Szalay, Russell M Pitzer, Adelia JA Aquino, Mayzza M Araújo do Nascimento, Mario Barbatti, Lachlan T Belcher, Jean-Philippe Blaudeau, Itamar Borges, Scott R Brozell, Emily A Carter, Anita Das, Gergely Gidofalvi, Leticia González, William L Hase, Gary Kedziora, Miklos Kertesz, Fábris Kossoski, Francisco BC Machado, Spiridoula Matsika, Silmar A do Monte, Dana Nachtigallová, Reed Nieman, Markus Oppel, Carol A Parish, Felix Plasser, Rene FK Spada, Eric A Stahlberg, Elizete Ventura, David R Yarkony, Zhiyong Zhang

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