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

Epifanovsky, Evgeny; Gulania, Sahil; Carreras, Abel; Lange, Adrian W.; Goldey, Matthew; Lao, Ka Un; Ochsenfeld, Christian; Stein, Christopher J.; Sundstrom, Eric J.; Klamt, Andreas; Kis, Gergely; Kowalczyk, Tim; Koulias, Laura; Jung, Yousung; Gan, Zhengting; Scheurer, Maximilian; Mao, Yuezhi; Morrison, Adrian F.; Hsu, Chao-Ping; Closser, Kristina D.; Hodecker, Manuel; Li, Yi-Pei; Fatehi, Shervin; Steele, Ryan P.; Ge, Qinghui; Mardirossian, Narbe; Jacobson, Leif D.; Zuev, Dmitry; Diedenhofen, Michael; DePrince, A. Eugene; Herbert, John M.; Dunietz, Barry D.; Jiang, Hanjie; Richard, Ryan M.; Schneider, Matthias; McKenzie, Simon C.; Khistyaev, Kirill; Carter-Fenk, Kevin; Maurer, Simon A.; Horn, Paul R.; Veccham, Srimukh Prasad; Loipersberger, Matthias; Mewes, Stefanie A.; Liu, Kuan-Yu; Holden, Zachary C.; Gunina, Anastasia O.; Zhang, Yu; Kaliman, Ilya; Peverati, Roberto; Cramer, Christopher J.; McCurdy, C. William; Ji, Hyunjun; Woodcock, H. Lee; Gilbert, Andrew T. B.; Do, Hainam; Kue, Karl; Aspuru-Guzik, Alán; Mason, Stephen; DiStasio, Robert A.; Vydrov, Oleg; Dasgupta, Saswata; Rask, Alan E.; Head-Gordon, Martin; Furlani, Thomas R.; Scheele, Tarek; Liu, Jie; Lawler, Keith V.; Kussmann, Jörg; Albrecht, Benjamin J.; Sergueev, Nickolai; Huang, Xunkun; Yamada, Atsushi; Andersen, Josefine H.; Hanson-Heine, Magnus W. D.; Feng, Xintian; Neaton, Jeffrey B.; Krauter, Caroline M.; Liebenthal, Marcus; Tkatchenko, Alexandre; González-Espinoza, Cristina E.; Zhang, Xing; Stauch, Tim; Lehtola, Susi; Kähler, Sven; Casanova, David; Jagau, Thomas-C.; McLaughlin, Peter F.; Zech, Alexander; Sharada, Shaama M.; Huynh, Bang C.; Yeganeh, Sina; Small, David W.; Rana, Bhaskar; Begam, Khadiza; Proynov, Emil I.; Bellonzi, Nicole; Kim, Jaehoon; Head-Gordon, Teresa; Ramos-Cordoba, Eloy; You, Zhi-Qiang; Lin, You-Sheng; Ivanov, Maxim; Van Voorhis, Troy; Gill, Peter M. W.; Cofer-Shabica, Vale; Menger, Maximilian F. S. J.; Zhang, Igor Ying; Tubman, Norm M.; Whaley, K. Birgitta; Landau, Arie; Friedhoff, Triet; Wesolowski, Tomasz A.; Tao, Zhen; Su, Yu-Chuan; Rehn, Dirk R.; Goddard, William A.; Houck, Shannon; Pokhilko, Pavel; Wenzel, Jan; Chai, Jeng-Da; Morgante, Pierpaolo; Hehre, Warren J.; Alam, Bushra; Witte, Jon; Kong, Jing; Yost, Shane R.; Aldossary, Abdulrahman; Lefrancois, Daniel; Truhlar, Donald G.; Hait, Diptarka; Yao, Kun; Slipchenko, Lyudmila V.; Zhu, Ying; Liu, Fenglai; Hui, Kerwin; Li, Run R.; Kus, Thomas; Herbst, Michael Friedrich; Mao, Shan-Ping; Krylov, Anna I.; Plasser, Felix; Kosenkov, Dimitri; Thom, Alex J. W.; Chien, Alan D.; Kaduk, Benjamin; Hernández Vera, Mario; Oosterbaan, Katherine J.; Subotnik, Joseph E.; Liang, Jiashu; Barton, Dennis; Pei, Zheng; Lin, Hung-Hsuan; Tornai, Gábor J.; Koh, Joong Hoon; Lambrecht, Daniel S.; Tsuchimochi, Takashi; Mayhall, Nicholas J.; Deng, Jia; Levine, Daniel S.; Gidofalvi, Gergely; Markovich, Thomas; Skomorowski, Wojciech; Ladjánszki, István; Coriani, Sonia; Gomes, Joe; Rettig, Adam; Bernard, Yves A.; Berquist, Eric J.; Dempwolff, Adrian L.; Rossomme, Elliot; Hammes-Schiffer, Sharon; Manohar, Prashant; Paran, Garrette; Lee, Joonho; Paul, Alexander C.; Mewes, Jan-Michael; Dreuw, Andreas; Rassolov, Vitaly A.; Faraji, Shirin; Manjanath, Aaditya; Cserey, György; Koczor-Benda, Zsuzsanna; Burton, Hugh G. A.; Marenich, Aleksandr V.; Besley, Nicholas A.; Bravaya, Ksenia B.; Mullinax, J. Wayne; Parkhill, John A.; Shao, Yihan; Brooks, Bernard R.; Chakraborty, Romit; Kunitsa, Alexander; Manzer, Sam F.; Pavošević, Fabijan; Bell, Alexis T.; Mansoor, Erum; Luenser, Arne; Athavale, Vishikh; Vidal, Marta L.; Liang, WanZhen; Alguire, Ethan; Feng, Qingguo; Ehlert, Sebastian; Coons, Marc P.; Behn, Andrew; Hauser, Andreas; Paul, Suranjan K.; Harbach, Phillip H. P.; Zimmerman, Paul M.; de Wergifosse, Marc; Gayvert, James; Rák, Ádám; Nanda, Kaushik D.; Fang, Po-Tung; Jász, Ádám; Prager, Stefan; White, Alec F.; Thirman, Jonathan; Klunzinger, Phil; Rob, Fazle

doi:0021-9606

000826140 001__ 826140
000826140 005__ 20211125100130.0
000826140 0247_ $$2ISSN$$a0021-9606
000826140 0247_ $$2ISSN$$a1089-7690
000826140 0247_ $$2ISSN$$a1520-9032
000826140 0247_ $$2SCOPUS$$aSCOPUS:2-s2.0-85111906352
000826140 0247_ $$2WOS$$aWOS:000687352200007
000826140 0247_ $$2doi$$a10.1063/5.0055522
000826140 0247_ $$2datacite_doi$$a10.18154/RWTH-2021-08781
000826140 037__ $$aRWTH-2021-08781
000826140 041__ $$aEnglish
000826140 082__ $$a530
000826140 1001_ $$aEpifanovsky, Evgeny$$b0$$eCorresponding author
000826140 245__ $$aSoftware for the frontiers of quantum chemistry : An overview of developments in the Q-Chem 5 package$$honline
000826140 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2021
000826140 300__ $$a1-59
000826140 3367_ $$00$$2EndNote$$aJournal Article
000826140 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal
000826140 3367_ $$2BibTeX$$aARTICLE
000826140 3367_ $$2DRIVER$$aarticle
000826140 3367_ $$2DataCite$$aOutput Types/Journal article
000826140 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000826140 588__ $$aDataset connected to CrossRef, Journals: publications.rwth-aachen.de
000826140 591__ $$aAustralia
000826140 591__ $$aAustria
000826140 591__ $$aBelgium
000826140 591__ $$aCanada
000826140 591__ $$aDenmark
000826140 591__ $$aFinland
000826140 591__ $$aFrance
000826140 591__ $$aGermany
000826140 591__ $$aHungary
000826140 591__ $$aIndia
000826140 591__ $$aIsrael
000826140 591__ $$aJapan
000826140 591__ $$aLuxembourg
000826140 591__ $$aNetherlands
000826140 591__ $$aNorway
000826140 591__ $$aPeoples R China
000826140 591__ $$aPoland
000826140 591__ $$aSouth Korea
000826140 591__ $$aSpain
000826140 591__ $$aSweden
000826140 591__ $$aSwitzerland
000826140 591__ $$aTaiwan
000826140 591__ $$aUK
000826140 591__ $$aUSA
000826140 7001_ $$aGilbert, Andrew T. B.$$b1
000826140 7001_ $$00000-0003-4487-233X$$aFeng, Xintian$$b2
000826140 7001_ $$aLee, Joonho$$b3
000826140 7001_ $$00000-0001-5362-4333$$aMao, Yuezhi$$b4
000826140 7001_ $$aMardirossian, Narbe$$b5
000826140 7001_ $$aPokhilko, Pavel$$b6
000826140 7001_ $$00000-0002-9743-1469$$aWhite, Alec F.$$b7
000826140 7001_ $$00000-0001-9511-2854$$aCoons, Marc P.$$b8
000826140 7001_ $$00000-0003-1106-8716$$aDempwolff, Adrian L.$$b9
000826140 7001_ $$aGan, Zhengting$$b10
000826140 7001_ $$00000-0003-1570-920X$$aHait, Diptarka$$b11
000826140 7001_ $$aHorn, Paul R.$$b12
000826140 7001_ $$aJacobson, Leif D.$$b13
000826140 7001_ $$aKaliman, Ilya$$b14
000826140 7001_ $$aKussmann, Jörg$$b15
000826140 7001_ $$aLange, Adrian W.$$b16
000826140 7001_ $$00000-0002-3993-536X$$aLao, Ka Un$$b17
000826140 7001_ $$00000-0001-8921-3659$$aLevine, Daniel S.$$b18
000826140 7001_ $$00000-0002-8140-9144$$aLiu, Jie$$b19
000826140 7001_ $$aMcKenzie, Simon C.$$b20
000826140 7001_ $$aMorrison, Adrian F.$$b21
000826140 7001_ $$00000-0002-3447-6678$$aNanda, Kaushik D.$$b22
000826140 7001_ $$00000-0003-0751-148X$$aPlasser, Felix$$b23
000826140 7001_ $$00000-0001-9463-3914$$aRehn, Dirk R.$$b24
000826140 7001_ $$00000-0003-0653-2078$$aVidal, Marta L.$$b25
000826140 7001_ $$aYou, Zhi-Qiang$$b26
000826140 7001_ $$00000-0003-2570-3346$$aZhu, Ying$$b27
000826140 7001_ $$aAlam, Bushra$$b28
000826140 7001_ $$aAlbrecht, Benjamin J.$$b29
000826140 7001_ $$aAldossary, Abdulrahman$$b30
000826140 7001_ $$aAlguire, Ethan$$b31
000826140 7001_ $$00000-0002-0534-7463$$aAndersen, Josefine H.$$b32
000826140 7001_ $$00000-0002-0571-2336$$aAthavale, Vishikh$$b33
000826140 7001_ $$aBarton, Dennis$$b34
000826140 7001_ $$aBegam, Khadiza$$b35
000826140 7001_ $$aBehn, Andrew$$b36
000826140 7001_ $$00000-0001-5171-9419$$aBellonzi, Nicole$$b37
000826140 7001_ $$aBernard, Yves A.$$b38
000826140 7001_ $$00000-0001-8186-9522$$aBerquist, Eric J.$$b39
000826140 7001_ $$00000-0002-1342-2056$$aBurton, Hugh G. A.$$b40
000826140 7001_ $$aCarreras, Abel$$b41
000826140 7001_ $$0P:(DE-82)826190$$aCarter-Fenk, Kevin$$b42
000826140 7001_ $$00000-0002-4638-6346$$aChakraborty, Romit$$b43
000826140 7001_ $$00000-0002-3103-0697$$aChien, Alan D.$$b44
000826140 7001_ $$00000-0003-4459-5635$$aClosser, Kristina D.$$b45
000826140 7001_ $$0P:(DE-82)826191$$aCofer-Shabica, Vale$$b46
000826140 7001_ $$00000-0002-8014-8376$$aDasgupta, Saswata$$b47
000826140 7001_ $$0P:(DE-82)826192$$ade Wergifosse, Marc$$b48
000826140 7001_ $$aDeng, Jia$$b49
000826140 7001_ $$00000-0002-5724-1994$$aDiedenhofen, Michael$$b50
000826140 7001_ $$aDo, Hainam$$b51
000826140 7001_ $$00000-0001-7809-771X$$aEhlert, Sebastian$$b52
000826140 7001_ $$aFang, Po-Tung$$b53
000826140 7001_ $$00000-0002-9922-923X$$aFatehi, Shervin$$b54
000826140 7001_ $$00000-0002-0242-8436$$aFeng, Qingguo$$b55
000826140 7001_ $$00000-0002-4001-9844$$aFriedhoff, Triet$$b56
000826140 7001_ $$aGayvert, James$$b57
000826140 7001_ $$aGe, Qinghui$$b58
000826140 7001_ $$aGidofalvi, Gergely$$b59
000826140 7001_ $$aGoldey, Matthew$$b60
000826140 7001_ $$aGomes, Joe$$b61
000826140 7001_ $$0P:(DE-82)826193$$aGonzález-Espinoza, Cristina E.$$b62
000826140 7001_ $$00000-0001-7918-6669$$aGulania, Sahil$$b63
000826140 7001_ $$00000-0002-8433-0765$$aGunina, Anastasia O.$$b64
000826140 7001_ $$0P:(DE-82)826194$$aHanson-Heine, Magnus W. D.$$b65
000826140 7001_ $$aHarbach, Phillip H. P.$$b66
000826140 7001_ $$00000-0001-6918-3106$$aHauser, Andreas$$b67
000826140 7001_ $$0P:(DE-82)IDM04801$$aHerbst, Michael Friedrich$$b68
000826140 7001_ $$0P:(DE-82)826195$$aHernández Vera, Mario$$b69
000826140 7001_ $$00000-0003-4219-0036$$aHodecker, Manuel$$b70
000826140 7001_ $$aHolden, Zachary C.$$b71
000826140 7001_ $$aHouck, Shannon$$b72
000826140 7001_ $$aHuang, Xunkun$$b73
000826140 7001_ $$00000-0002-0695-8901$$aHui, Kerwin$$b74
000826140 7001_ $$00000-0002-5226-4054$$aHuynh, Bang C.$$b75
000826140 7001_ $$aIvanov, Maxim$$b76
000826140 7001_ $$00000-0002-1884-2180$$aJász, Ádám$$b77
000826140 7001_ $$aJi, Hyunjun$$b78
000826140 7001_ $$00000-0002-2066-2840$$aJiang, Hanjie$$b79
000826140 7001_ $$aKaduk, Benjamin$$b80
000826140 7001_ $$00000-0002-9135-2540$$aKähler, Sven$$b81
000826140 7001_ $$aKhistyaev, Kirill$$b82
000826140 7001_ $$00000-0001-8598-3429$$aKim, Jaehoon$$b83
000826140 7001_ $$aKis, Gergely$$b84
000826140 7001_ $$aKlunzinger, Phil$$b85
000826140 7001_ $$0P:(DE-82)826197$$aKoczor-Benda, Zsuzsanna$$b86
000826140 7001_ $$00000-0002-0412-4516$$aKoh, Joong Hoon$$b87
000826140 7001_ $$aKosenkov, Dimitri$$b88
000826140 7001_ $$aKoulias, Laura$$b89
000826140 7001_ $$00000-0003-1806-059X$$aKowalczyk, Tim$$b90
000826140 7001_ $$aKrauter, Caroline M.$$b91
000826140 7001_ $$aKue, Karl$$b92
000826140 7001_ $$00000-0002-3640-8548$$aKunitsa, Alexander$$b93
000826140 7001_ $$aKus, Thomas$$b94
000826140 7001_ $$00000-0003-2001-3530$$aLadjánszki, István$$b95
000826140 7001_ $$00000-0002-1924-1555$$aLandau, Arie$$b96
000826140 7001_ $$00000-0003-1087-5815$$aLawler, Keith V.$$b97
000826140 7001_ $$00000-0002-6128-8234$$aLefrancois, Daniel$$b98
000826140 7001_ $$00000-0001-6296-8103$$aLehtola, Susi$$b99
000826140 7001_ $$00000-0002-3349-3169$$aLi, Run R.$$b100
000826140 7001_ $$00000-0002-1314-3276$$aLi, Yi-Pei$$b101
000826140 7001_ $$00000-0002-6775-278X$$aLiang, Jiashu$$b102
000826140 7001_ $$aLiebenthal, Marcus$$b103
000826140 7001_ $$aLin, Hung-Hsuan$$b104
000826140 7001_ $$aLin, You-Sheng$$b105
000826140 7001_ $$aLiu, Fenglai$$b106
000826140 7001_ $$00000-0002-2619-3301$$aLiu, Kuan-Yu$$b107
000826140 7001_ $$aLoipersberger, Matthias$$b108
000826140 7001_ $$aLuenser, Arne$$b109
000826140 7001_ $$aManjanath, Aaditya$$b110
000826140 7001_ $$00000-0001-9788-4460$$aManohar, Prashant$$b111
000826140 7001_ $$aMansoor, Erum$$b112
000826140 7001_ $$aManzer, Sam F.$$b113
000826140 7001_ $$aMao, Shan-Ping$$b114
000826140 7001_ $$00000-0003-0288-843X$$aMarenich, Aleksandr V.$$b115
000826140 7001_ $$aMarkovich, Thomas$$b116
000826140 7001_ $$aMason, Stephen$$b117
000826140 7001_ $$aMaurer, Simon A.$$b118
000826140 7001_ $$00000-0003-3860-4339$$aMcLaughlin, Peter F.$$b119
000826140 7001_ $$aMenger, Maximilian F. S. J.$$b120
000826140 7001_ $$00000-0002-4669-8091$$aMewes, Jan-Michael$$b121
000826140 7001_ $$00000-0002-6538-9876$$aMewes, Stefanie A.$$b122
000826140 7001_ $$00000-0002-7522-2535$$aMorgante, Pierpaolo$$b123
000826140 7001_ $$aMullinax, J. Wayne$$b124
000826140 7001_ $$aOosterbaan, Katherine J.$$b125
000826140 7001_ $$00000-0001-5626-2710$$aParan, Garrette$$b126
000826140 7001_ $$00000-0002-7547-445X$$aPaul, Alexander C.$$b127
000826140 7001_ $$aPaul, Suranjan K.$$b128
000826140 7001_ $$00000-0002-3693-7546$$aPavošević, Fabijan$$b129
000826140 7001_ $$aPei, Zheng$$b130
000826140 7001_ $$aPrager, Stefan$$b131
000826140 7001_ $$aProynov, Emil I.$$b132
000826140 7001_ $$aRák, Ádám$$b133
000826140 7001_ $$0P:(DE-82)826198$$aRamos-Cordoba, Eloy$$b134
000826140 7001_ $$00000-0002-8751-7314$$aRana, Bhaskar$$b135
000826140 7001_ $$aRask, Alan E.$$b136
000826140 7001_ $$00000-0002-6528-9576$$aRettig, Adam$$b137
000826140 7001_ $$00000-0003-4235-5179$$aRichard, Ryan M.$$b138
000826140 7001_ $$aRob, Fazle$$b139
000826140 7001_ $$00000-0002-4727-0652$$aRossomme, Elliot$$b140
000826140 7001_ $$00000-0003-3600-1083$$aScheele, Tarek$$b141
000826140 7001_ $$00000-0003-0592-3464$$aScheurer, Maximilian$$b142
000826140 7001_ $$aSchneider, Matthias$$b143
000826140 7001_ $$aSergueev, Nickolai$$b144
000826140 7001_ $$00000-0001-7332-5373$$aSharada, Shaama M.$$b145
000826140 7001_ $$00000-0002-0364-435X$$aSkomorowski, Wojciech$$b146
000826140 7001_ $$aSmall, David W.$$b147
000826140 7001_ $$00000-0003-2050-4866$$aStein, Christopher J.$$b148
000826140 7001_ $$aSu, Yu-Chuan$$b149
000826140 7001_ $$aSundstrom, Eric J.$$b150
000826140 7001_ $$00000-0003-0511-7665$$aTao, Zhen$$b151
000826140 7001_ $$00000-0002-0096-1763$$aThirman, Jonathan$$b152
000826140 7001_ $$00000-0002-2869-0491$$aTornai, Gábor J.$$b153
000826140 7001_ $$00000-0002-6378-1268$$aTsuchimochi, Takashi$$b154
000826140 7001_ $$00000-0002-9577-8485$$aTubman, Norm M.$$b155
000826140 7001_ $$00000-0002-6158-2126$$aVeccham, Srimukh Prasad$$b156
000826140 7001_ $$aVydrov, Oleg$$b157
000826140 7001_ $$00000-0002-6771-5567$$aWenzel, Jan$$b158
000826140 7001_ $$00000-0002-7016-7346$$aWitte, Jon$$b159
000826140 7001_ $$00000-0002-0887-0321$$aYamada, Atsushi$$b160
000826140 7001_ $$00000-0003-2032-7441$$aYao, Kun$$b161
000826140 7001_ $$aYeganeh, Sina$$b162
000826140 7001_ $$00000-0001-5010-1051$$aYost, Shane R.$$b163
000826140 7001_ $$00000-0002-4332-8546$$aZech, Alexander$$b164
000826140 7001_ $$aZhang, Igor Ying$$b165
000826140 7001_ $$00000-0002-1892-1380$$aZhang, Xing$$b166
000826140 7001_ $$aZhang, Yu$$b167
000826140 7001_ $$aZuev, Dmitry$$b168
000826140 7001_ $$0P:(DE-82)820783$$aAspuru-Guzik, Alán$$b169
000826140 7001_ $$aBell, Alexis T.$$b170
000826140 7001_ $$00000-0003-1011-6675$$aBesley, Nicholas A.$$b171
000826140 7001_ $$aBravaya, Ksenia B.$$b172
000826140 7001_ $$aBrooks, Bernard R.$$b173
000826140 7001_ $$00000-0002-8893-7089$$aCasanova, David$$b174
000826140 7001_ $$00000-0002-3994-2279$$aChai, Jeng-Da$$b175
000826140 7001_ $$00000-0002-4487-897X$$aCoriani, Sonia$$b176
000826140 7001_ $$00000-0001-5048-1859$$aCramer, Christopher J.$$b177
000826140 7001_ $$aCserey, György$$b178
000826140 7001_ $$00000-0003-1061-2521$$aDePrince, A. Eugene$$b179
000826140 7001_ $$00000-0003-2732-194X$$aDiStasio, Robert A.$$b180
000826140 7001_ $$00000-0002-5862-5113$$aDreuw, Andreas$$b181
000826140 7001_ $$00000-0002-6982-8995$$aDunietz, Barry D.$$b182
000826140 7001_ $$00000-0002-4683-0814$$aFurlani, Thomas R.$$b183
000826140 7001_ $$00000-0003-0097-5716$$aGoddard, William A.$$b184
000826140 7001_ $$0P:(DE-82)826199$$aHammes-Schiffer, Sharon$$b185
000826140 7001_ $$0P:(DE-82)826200$$aHead-Gordon, Teresa$$b186
000826140 7001_ $$aHehre, Warren J.$$b187
000826140 7001_ $$00000-0002-7187-427X$$aHsu, Chao-Ping$$b188
000826140 7001_ $$00000-0001-5919-424X$$aJagau, Thomas-C.$$b189
000826140 7001_ $$aJung, Yousung$$b190
000826140 7001_ $$00000-0002-5320-6219$$aKlamt, Andreas$$b191
000826140 7001_ $$aKong, Jing$$b192
000826140 7001_ $$aLambrecht, Daniel S.$$b193
000826140 7001_ $$00000-0002-5931-2901$$aLiang, WanZhen$$b194
000826140 7001_ $$00000-0002-1312-9781$$aMayhall, Nicholas J.$$b195
000826140 7001_ $$aMcCurdy, C. William$$b196
000826140 7001_ $$00000-0001-7585-6135$$aNeaton, Jeffrey B.$$b197
000826140 7001_ $$00000-0002-4189-6558$$aOchsenfeld, Christian$$b198
000826140 7001_ $$00000-0001-5739-9620$$aParkhill, John A.$$b199
000826140 7001_ $$00000-0001-7774-9923$$aPeverati, Roberto$$b200
000826140 7001_ $$00000-0002-7244-8870$$aRassolov, Vitaly A.$$b201
000826140 7001_ $$00000-0001-9337-341X$$aShao, Yihan$$b202
000826140 7001_ $$00000-0002-0445-2990$$aSlipchenko, Lyudmila V.$$b203
000826140 7001_ $$00000-0001-7599-3578$$aStauch, Tim$$b204
000826140 7001_ $$aSteele, Ryan P.$$b205
000826140 7001_ $$00000-0003-2170-2020$$aSubotnik, Joseph E.$$b206
000826140 7001_ $$00000-0002-2417-7869$$aThom, Alex J. W.$$b207
000826140 7001_ $$aTkatchenko, Alexandre$$b208
000826140 7001_ $$00000-0002-7742-7294$$aTruhlar, Donald G.$$b209
000826140 7001_ $$0P:(DE-82)826201$$aVan Voorhis, Troy$$b210
000826140 7001_ $$00000-0001-5792-4616$$aWesolowski, Tomasz A.$$b211
000826140 7001_ $$00000-0002-7164-4757$$aWhaley, K. Birgitta$$b212
000826140 7001_ $$aWoodcock, H. Lee$$b213
000826140 7001_ $$00000-0002-7444-1314$$aZimmerman, Paul M.$$b214
000826140 7001_ $$00000-0002-6421-4599$$aFaraji, Shirin$$b215
000826140 7001_ $$00000-0003-1042-6331$$aGill, Peter M. W.$$b216
000826140 7001_ $$0P:(DE-82)826202$$aHead-Gordon, Martin$$b217
000826140 7001_ $$00000-0002-1663-2278$$aHerbert, John M.$$b218
000826140 7001_ $$00000-0001-6788-5016$$aKrylov, Anna I.$$b219
000826140 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/5.0055522$$n8$$p084801$$tThe journal of chemical physics$$v155$$x1089-7690$$y2021
000826140 8564_ $$uhttps://publications.rwth-aachen.de/record/826140/files/826140.pdf$$yOpenAccess
000826140 909CO $$ooai:publications.rwth-aachen.de:826140$$popenaire$$popen_access$$pdriver$$pdnbdelivery
000826140 9141_ $$y2021
000826140 9151_ $$0StatID:(DE-HGF)0031$$2StatID$$aPeer reviewed article$$x0
000826140 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)10000$$2StatID$$aHosted Content
000826140 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000826140 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ CHEM PHYS : 2019$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000826140 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0430$$2StatID$$aNational-Konsortium$$d2021-02-02$$wger
000826140 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central$$d2021-02-02
000826140 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz$$d2021-02-02$$wger
000826140 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2021-02-02
000826140 961__ $$c2021-09-16T22:35:25.318554$$x2021-09-16T22:35:25.318554$$z2021-09-17
000826140 9801_ $$aUNRESTRICTED
000826140 9801_ $$aEXTERN4VITA
000826140 9801_ $$aFullTexts
000826140 980__ $$aI:(DE-82)110000_20140620
000826140 980__ $$aI:(DE-82)115120_20140620
000826140 980__ $$aUNRESTRICTED
000826140 980__ $$ajournal

h1

h2

h3

h4

h5

h6

RWTH

Kontakt

RWTH Publications

Allgemeines