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Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

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dc.affiliationUniwersytet Warszawski
dc.contributor.authorSkomorowski, Wojciech
dc.contributor.authorHorn, Paul R.
dc.contributor.authorWhite, Alec F.
dc.contributor.authorPokhilko, Pavel
dc.contributor.authorMardirossian, Narbe
dc.contributor.authorMao, Yuezhi
dc.contributor.authorHait, Diptarka
dc.contributor.authorGan, Zhengting
dc.contributor.authorDempwolff, Adrian L.
dc.contributor.authorCoons, Marc P.
dc.contributor.authorMcKenzie, Simon C.
dc.contributor.authorLiu, Jie
dc.contributor.authorEpifanovsky, Evgeny
dc.contributor.authorFeng, Xintian
dc.contributor.authorGilbert, Andrew T. B.
dc.contributor.authorRettig, Adam
dc.contributor.authorRichard, Ryan M.
dc.contributor.authorRob, Fazle
dc.contributor.authorLee, Joonho
dc.contributor.authorRák, Ádám
dc.contributor.authorRamos-Cordoba, Eloy
dc.contributor.authorRana, Bhaskar
dc.contributor.authorRask, Alan E.
dc.contributor.authorPei, Zheng
dc.contributor.authorPrager, Stefan
dc.contributor.authorProynov, Emil I.
dc.contributor.authorTsuchimochi, Takashi
dc.contributor.authorTubman, Norm M.
dc.contributor.authorScheurer, Maximilian
dc.contributor.authorSchneider, Matthias
dc.contributor.authorSergueev, Nickolai
dc.contributor.authorSharada, Shaama M.
dc.contributor.authorRossomme, Elliot
dc.contributor.authorScheele, Tarek
dc.contributor.authorSundstrom, Eric J.
dc.contributor.authorTao, Zhen
dc.contributor.authorThirman, Jonathan
dc.contributor.authorTornai, Gábor J.
dc.contributor.authorSmall, David W.
dc.contributor.authorStein, Christopher J.
dc.contributor.authorSu, Yu-Chuan
dc.contributor.authorBesley, Nicholas A.
dc.contributor.authorWitte, Jon
dc.contributor.authorYamada, Atsushi
dc.contributor.authorYao, Kun
dc.contributor.authorVeccham, Srimukh Prasad
dc.contributor.authorVydrov, Oleg
dc.contributor.authorWenzel, Jan
dc.contributor.authorYeganeh, Sina
dc.contributor.authorZhang, Yu
dc.contributor.authorZuev, Dmitry
dc.contributor.authorAspuru-Guzik, Alán
dc.contributor.authorBell, Alexis T.
dc.contributor.authorYost, Shane R.
dc.contributor.authorZech, Alexander
dc.contributor.authorZhang, Igor Ying
dc.contributor.authorZhang, Xing
dc.contributor.authorCoriani, Sonia
dc.contributor.authorCramer, Christopher J.
dc.contributor.authorBravaya, Ksenia B.
dc.contributor.authorBrooks, Bernard R.
dc.contributor.authorCasanova, David
dc.contributor.authorChai, Jeng-Da
dc.contributor.authorCserey, György
dc.contributor.authorDePrince, A. Eugene
dc.contributor.authorGoddard, William A.
dc.contributor.authorHammes-Schiffer, Sharon
dc.contributor.authorHead-Gordon, Teresa
dc.contributor.authorHehre, Warren J.
dc.contributor.authorDiStasio, Robert A.
dc.contributor.authorDreuw, Andreas
dc.contributor.authorDunietz, Barry D.
dc.contributor.authorFurlani, Thomas R.
dc.contributor.authorHsu, Chao-Ping
dc.contributor.authorLambrecht, Daniel S.
dc.contributor.authorJagau, Thomas-C.
dc.contributor.authorJung, Yousung
dc.contributor.authorKlamt, Andreas
dc.contributor.authorKong, Jing
dc.contributor.authorLiang, WanZhen
dc.contributor.authorMayhall, Nicholas J.
dc.contributor.authorMcCurdy, C. William
dc.contributor.authorRassolov, Vitaly A.
dc.contributor.authorShao, Yihan
dc.contributor.authorSlipchenko, Lyudmila V.
dc.contributor.authorNeaton, Jeffrey B.
dc.contributor.authorOchsenfeld, Christian
dc.contributor.authorParkhill, John A.
dc.contributor.authorPeverati, Roberto
dc.contributor.authorLehtola, Susi
dc.contributor.authorLi, Run R.
dc.contributor.authorLi, Yi-Pei
dc.contributor.authorStauch, Tim
dc.contributor.authorLiang, Jiashu
dc.contributor.authorSteele, Ryan P.
dc.contributor.authorAlbrecht, Benjamin J.
dc.contributor.authorLefrancois, Daniel
dc.contributor.authorLiu, Kuan-Yu
dc.contributor.authorLiebenthal, Marcus
dc.contributor.authorSubotnik, Joseph E.
dc.contributor.authorLin, Hung-Hsuan
dc.contributor.authorThom, Alex J. W.
dc.contributor.authorLin, You-Sheng
dc.contributor.authorTkatchenko, Alexandre
dc.contributor.authorLiu, Fenglai
dc.contributor.authorTruhlar, Donald G.
dc.contributor.authorVoorhis, Troy Van
dc.contributor.authorWesolowski, Tomasz A.
dc.contributor.authorWhaley, K. Birgitta
dc.contributor.authorWoodcock, H. Lee
dc.contributor.authorAthavale, Vishikh
dc.contributor.authorHerbert, John M.
dc.contributor.authorAndersen, Josefine H.
dc.contributor.authorKrylov, Anna I.
dc.contributor.authorAlguire, Ethan
dc.contributor.authorAldossary, Abdulrahman
dc.contributor.authorZimmerman, Paul M.
dc.contributor.authorFaraji, Shirin
dc.contributor.authorGill, Peter M. W.
dc.contributor.authorBarton, Dennis
dc.contributor.authorHead-Gordon, Martin
dc.contributor.authorMarkovich, Thomas
dc.contributor.authorMason, Stephen
dc.contributor.authorMaurer, Simon A.
dc.contributor.authorMcLaughlin, Peter F.
dc.contributor.authorMao, Shan-Ping
dc.contributor.authorMarenich, Aleksandr V.
dc.contributor.authorRehn, Dirk R.
dc.contributor.authorPlasser, Felix
dc.contributor.authorNanda, Kaushik D.
dc.contributor.authorMorrison, Adrian F.
dc.contributor.authorAlam, Bushra
dc.contributor.authorMenger, Maximilian F. S. J.
dc.contributor.authorZhu, Ying
dc.contributor.authorMewes, Jan-Michael
dc.contributor.authorYou, Zhi-Qiang
dc.contributor.authorMewes, Stefanie A.
dc.contributor.authorVidal, Marta L.
dc.contributor.authorMorgante, Pierpaolo
dc.contributor.authorLange, Adrian W.
dc.contributor.authorKussmann, Jörg
dc.contributor.authorKaliman, Ilya
dc.contributor.authorJacobson, Leif D.
dc.contributor.authorLadjánszki, István
dc.contributor.authorLandau, Arie
dc.contributor.authorLevine, Daniel S.
dc.contributor.authorLawler, Keith V.
dc.contributor.authorLao, Ka Un
dc.contributor.authorGayvert, James
dc.contributor.authorLoipersberger, Matthias
dc.contributor.authorFriedhoff, Triet
dc.contributor.authorLuenser, Arne
dc.contributor.authorFeng, Qingguo
dc.contributor.authorManjanath, Aaditya
dc.contributor.authorFatehi, Shervin
dc.contributor.authorManohar, Prashant
dc.contributor.authorGoldey, Matthew
dc.contributor.authorGidofalvi, Gergely
dc.contributor.authorGe, Qinghui
dc.contributor.authorFang, Po-Tung
dc.contributor.authorMansoor, Erum
dc.contributor.authorEhlert, Sebastian
dc.contributor.authorManzer, Sam F.
dc.contributor.authorDo, Hainam
dc.contributor.authorBurton, Hugh G. A.
dc.contributor.authorOosterbaan, Katherine J.
dc.contributor.authorBerquist, Eric J.
dc.contributor.authorParan, Garrette
dc.contributor.authorBernard, Yves A.
dc.contributor.authorPaul, Alexander C.
dc.contributor.authorBellonzi, Nicole
dc.contributor.authorPaul, Suranjan K.
dc.contributor.authorChien, Alan D.
dc.contributor.authorChakraborty, Romit
dc.contributor.authorCarter-Fenk, Kevin
dc.contributor.authorCarreras, Abel
dc.contributor.authorMullinax, J. Wayne
dc.contributor.authorBehn, Andrew
dc.contributor.authorPavošević, Fabijan
dc.contributor.authorBegam, Khadiza
dc.contributor.authorKus, Thomas
dc.contributor.authorKunitsa, Alexander
dc.contributor.authorKue, Karl
dc.contributor.authorKähler, Sven
dc.contributor.authorKaduk, Benjamin
dc.contributor.authorJiang, Hanjie
dc.contributor.authorJi, Hyunjun
dc.contributor.authorJász, Ádám
dc.contributor.authorIvanov, Maxim
dc.contributor.authorHarbach, Phillip H. P.
dc.contributor.authorHanson-Heine, Magnus W. D.
dc.contributor.authorGunina, Anastasia O.
dc.contributor.authorGulania, Sahil
dc.contributor.authorGonzález-Espinoza, Cristina E.
dc.contributor.authorGomes, Joe
dc.contributor.authorKowalczyk, Tim
dc.contributor.authorKoulias, Laura
dc.contributor.authorKosenkov, Dimitri
dc.contributor.authorKoh, Joong Hoon
dc.contributor.authorKrauter, Caroline M.
dc.contributor.authorKhistyaev, Kirill
dc.contributor.authorKoczor-Benda, Zsuzsanna
dc.contributor.authorKlunzinger, Phil
dc.contributor.authorKis, Gergely
dc.contributor.authorKim, Jaehoon
dc.contributor.authorDeng, Jia
dc.contributor.authorWergifosse, Marc de
dc.contributor.authorDasgupta, Saswata
dc.contributor.authorCofer-Shabica, Vale
dc.contributor.authorDiedenhofen, Michael
dc.contributor.authorClosser, Kristina D.
dc.contributor.authorHuang, Xunkun
dc.contributor.authorHouck, Shannon
dc.contributor.authorHolden, Zachary C.
dc.contributor.authorHodecker, Manuel
dc.contributor.authorHuynh, Bang C.
dc.contributor.authorHui, Kerwin
dc.contributor.authorVera, Mario Hernández
dc.contributor.authorHerbst, Michael F.
dc.contributor.authorHauser, Andreas
dc.date.accessioned2024-01-26T07:52:34Z
dc.date.available2024-01-26T07:52:34Z
dc.date.issued2021
dc.description.financePublikacja bezkosztowa
dc.description.number8
dc.description.volume155
dc.identifier.doi10.1063/5.0055522
dc.identifier.issn0021-9606
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/120163
dc.identifier.weblinkhttps://aip.scitation.org/doi/pdf/10.1063/5.0055522
dc.languageeng
dc.pbn.affiliationphysical sciences
dc.relation.ispartofJournal of Chemical Physics
dc.relation.pages84801
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleSoftware for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
dc.typeJournalArticle
dspace.entity.typePublication