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1Academic JournalSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
المؤلفون: Epifanovsky, Evgeny, Gilbert, Andrew TB, Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F, Coons, Marc P, Dempwolff, Adrian L, Gan, Zhengting, Hait, Diptarka, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W, Lao, Ka Un, Levine, Daniel S, Liu, Jie, McKenzie, Simon C, Morrison, Adrian F, Nanda, Kaushik D, Plasser, Felix, Rehn, Dirk R, Vidal, Marta L, You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J, Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H, Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A, Berquist, Eric J, Burton, Hugh GA, Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D, Closser, Kristina D, Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E, Gulania, Sahil, Gunina, Anastasia O, Hanson-Heine, Magnus WD, Harbach, Phillip HP, Hauser, Andreas, Herbst, Michael F, Vera, Mario Hernández, Hodecker, Manuel, Holden, Zachary C, Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C, Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M, Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V, Lefrancois, Daniel, Lehtola, Susi
المصدر: The Journal of Chemical Physics. 155(8)
مصطلحات موضوعية: Physical Sciences, Chemical Sciences, Atomic, Molecular and Optical Physics, Physical Chemistry, Engineering, Chemical Physics, Chemical sciences, Physical sciences
وصف الملف: application/pdf
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2Academic Journal
المؤلفون: Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew TB, Wormit, Michael, Kussmann, Joerg, Lange, Adrian W, Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Khaliullin, Rustam Z, Kuś, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I, Rhee, Young Min, Richard, Ryan M, Rohrdanz, Mary A, Steele, Ryan P, Sundstrom, Eric J, Woodcock, H Lee, Zimmerman, Paul M, Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory JO, Bernard, Yves A, Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B, Brown, Shawn T, Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D, Crittenden, Deborah L, Diedenhofen, Michael, DiStasio, Robert A, Do, Hainam, Dutoi, Anthony D, Edgar, Richard G, Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus WD, Harbach, Philipp HP, Hauser, Andreas W, Hohenstein, Edward G, Holden, Zachary C, Jagau, Thomas-C, Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A, Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M, Lao, Ka Un, Laurent, Adèle D, Lawler, Keith V, Levchenko, Sergey V, Lin, Ching Yeh, Liu, Fenglai, Livshits, Ester, Lochan, Rohini C, Luenser, Arne, Manohar, Prashant, Manzer, Samuel F, Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V, Maurer, Simon A, Mayhall, Nicholas J, Neuscamman, Eric, Oana, C Melania, Olivares-Amaya, Roberto, O’Neill, Darragh P, Parkhill, John A, Perrine, Trilisa M, Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R, Rosta, Edina, Russ, Nicholas J, Sharada, Shaama M, Sharma, Sandeep, Small, David W, Sodt, Alexander
المصدر: Molecular Physics. 113(2)
مصطلحات موضوعية: Chemical Sciences, Physical Chemistry, Theoretical and Computational Chemistry, quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, Atomic, Molecular, Nuclear, Particle and Plasma Physics, Physical Chemistry (incl. Structural), Chemical Physics, Physical chemistry, Theoretical and computational chemistry
وصف الملف: application/pdf
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3Academic Journal
المؤلفون: Shao, Yihan, Gan, Zhengting, Epifanovsky, Evgeny, Gilbert, Andrew TB, Wormit, Michael, Kussmann, Joerg, Lange, Adrian W, Behn, Andrew, Deng, Jia, Feng, Xintian, Ghosh, Debashree, Goldey, Matthew, Horn, Paul R, Jacobson, Leif D, Kaliman, Ilya, Khaliullin, Rustam Z, Kuś, Tomasz, Landau, Arie, Liu, Jie, Proynov, Emil I, Rhee, Young Min, Richard, Ryan M, Rohrdanz, Mary A, Steele, Ryan P, Sundstrom, Eric J, Woodcock, H Lee, Zimmerman, Paul M, Zuev, Dmitry, Albrecht, Ben, Alguire, Ethan, Austin, Brian, Beran, Gregory JO, Bernard, Yves A, Berquist, Eric, Brandhorst, Kai, Bravaya, Ksenia B, Brown, Shawn T, Casanova, David, Chang, Chun-Min, Chen, Yunqing, Chien, Siu Hung, Closser, Kristina D, Crittenden, Deborah L, Diedenhofen, Michael, DiStasio, Robert A, Do, Hainam, Dutoi, Anthony D, Edgar, Richard G, Fatehi, Shervin, Fusti-Molnar, Laszlo, Ghysels, An, Golubeva-Zadorozhnaya, Anna, Gomes, Joseph, Hanson-Heine, Magnus WD, Harbach, Philipp HP, Hauser, Andreas W, Hohenstein, Edward G, Holden, Zachary C, Jagau, Thomas-C, Ji, Hyunjun, Kaduk, Benjamin, Khistyaev, Kirill, Kim, Jaehoon, Kim, Jihan, King, Rollin A, Klunzinger, Phil, Kosenkov, Dmytro, Kowalczyk, Tim, Krauter, Caroline M., Lao, Ka Un, Laurent, Adèle D, Lawler, Keith V, Levchenko, Sergey V, Lin, Ching Yeh, Liu, Fenglai, Livshits, Ester, Lochan, Rohini C, Luenser, Arne, Manohar, Prashant, Manzer, Samuel F, Mao, Shan-Ping, Mardirossian, Narbe, Marenich, Aleksandr V, Maurer, Simon A, Mayhall, Nicholas J, Neuscamman, Eric, Oana, C Melania, Olivares-Amaya, Roberto, O’Neill, Darragh P, Parkhill, John A, Perrine, Trilisa M, Peverati, Roberto, Prociuk, Alexander, Rehn, Dirk R, Rosta, Edina, Russ, Nicholas J, Sharada, Shaama M, Sharma, Sandeep, Small, David W, Sodt, Alexander, Stein, Tamar, Stück, David, Su, Yu-Chuan, Thom, Alex JW, Tsuchimochi, Takashi, Vanovschi, Vitalii, Vogt, Leslie, Vydrov, Oleg, Wang, Tao, Watson, Mark A, Wenzel, Jan, White, Alec, Williams, Christopher F, Yang, Jun, Yeganeh, Sina, Yost, Shane R, You, Zhi-Qiang, Zhang, Igor Ying, Zhang, Xing, Zhao, Yan, Brooks, Bernard R, Chan, Garnet KL, Chipman, Daniel M, Cramer, Christopher J, Goddard, William A, Gordon, Mark S, Hehre, Warren J, Klamt, Andreas, Schaefer, Henry F, Schmidt, Michael W, Sherrill, C David, Truhlar, Donald G, Warshel, Arieh, Xu, Xin, Aspuru-Guzik, Alán, Baer, Roi, Bell, Alexis T, Besley, Nicholas A, Chai, Jeng-Da, Dreuw, Andreas, Dunietz, Barry D, Furlani, Thomas R, Gwaltney, Steven R, Hsu, Chao-Ping, Jung, Yousung, Kong, Jing, Lambrecht, Daniel S, Liang, WanZhen, Ochsenfeld, Christian, Rassolov, Vitaly A, Slipchenko, Lyudmila V, Subotnik, Joseph E, Van Voorhis, Troy, Herbert, John M, Krylov, Anna I, Gill, Peter MW, Head-Gordon, Martin
المصدر: MOLECULAR PHYSICS ; ISSN: 0026-8976 ; ISSN: 1362-3028
مصطلحات موضوعية: Chemistry, Physics and Astronomy, quantum chemistry, electron correlation, electronic structure theory, Q-Chem, computational modelling, software, density functional theory, DENSITY-FUNCTIONAL THEORY, MATRIX RENORMALIZATION-GROUP, SPIN-COUPLING-CONSTANTS, ELECTRONIC-STRUCTURE CALCULATIONS, PLESSET PERTURBATION-THEORY, EXCITATION-ENERGY TRANSFER, FRAGMENT POTENTIAL METHOD, NUCLEAR-MAGNETIC-RESONANCE, CONTINUUM SOLVATION MODELS, BASIS-SET LIMIT
وصف الملف: application/pdf
Relation: https://biblio.ugent.be/publication/8604977; http://hdl.handle.net/1854/LU-8604977; http://dx.doi.org/10.1080/00268976.2014.952696; https://biblio.ugent.be/publication/8604977/file/8604980