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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Academic Journal
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
The Journal of Chemical Physics. 155(8)
Academic Journal
Academic Journal
Academic Journal
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
Molecular Physics. 113(2)
Academic Journal
Academic Journal
Yang, Eunjeong; Kim, Heejin; Kim, Sangryun; Kim, In; Kim, Jaehoon; Ji, Hyunjun; Choi, Jang Wook; Jung, Yousung
Chemical Science; 1/14/2018, Vol. 9 Issue 2, p433-438, 6p
Academic Journal
Physical Chemistry Chemical Physics (PCCP); 2015, Vol. 17 Issue 7, p5000-5005, 6p
Academic Journal
Kim, Kyung Won; Lee, Jeong Min; Jeon, Yong Sik; Kang, Sung Eun; Baek, Jee Hyun; Han, Joon Koo; Choi, Byung Ihn; Bang, Yung-Jue; Kiefer, Berthold; Block, Kai Tobias; Ji, Hyunjun; Bauer, Simon; Kim, Chin
Periodical
The Journal of Physical Chemistry - Part C; November 2015, Vol. 119 Issue: 47 p26374-26380, 7p
Academic Journal
ChemPhysChem; 10/20/2014, Vol. 15 Issue 15, p3157-3165, 9p
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[AR] Ji, Hyunjun
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