Optimization of the r
Journal
The journal of physical chemistry. A
ISSN: 1520-5215
Titre abrégé: J Phys Chem A
Pays: United States
ID NLM: 9890903
Informations de publication
Date de publication:
16 Jun 2022
16 Jun 2022
Historique:
pubmed:
3
6
2022
medline:
3
6
2022
entrez:
2
6
2022
Statut:
ppublish
Résumé
The "Swiss army knife" composite density functional electronic-structure method r
Identifiants
pubmed: 35654439
doi: 10.1021/acs.jpca.2c02951
pmc: PMC9255700
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
3826-3838Références
J Comput Chem. 2011 May;32(7):1456-65
pubmed: 21370243
J Chem Phys. 2017 Jul 21;147(3):034112
pubmed: 28734285
J Chem Phys. 2021 Feb 14;154(6):064103
pubmed: 33588555
Phys Chem Chem Phys. 2017 Dec 13;19(48):32184-32215
pubmed: 29110012
Phys Rev Lett. 1996 Oct 28;77(18):3865-3868
pubmed: 10062328
J Chem Theory Comput. 2015 Apr 14;11(4):1428-38
pubmed: 26574354
Phys Chem Chem Phys. 2021 May 26;23(20):11635-11648
pubmed: 33978015
J Chem Theory Comput. 2018 May 8;14(5):2456-2468
pubmed: 29595973
J Chem Theory Comput. 2014 Feb 11;10(2):579-88
pubmed: 26580034
J Chem Phys. 2016 Sep 28;145(12):124105
pubmed: 27782652
J Phys Chem A. 2018 Mar 15;122(10):2801-2808
pubmed: 29473742
Phys Chem Chem Phys. 2021 Jan 6;23(1):287-299
pubmed: 33336657
J Phys Chem A. 2006 Sep 7;110(35):10478-86
pubmed: 16942053
J Comput Chem. 2003 Jul 15;24(9):1142-56
pubmed: 12759913
Angew Chem Int Ed Engl. 2022 Mar 28;61(14):e202113905
pubmed: 35099097
J Chem Theory Comput. 2009 Apr 14;5(4):1016-26
pubmed: 26609610
J Chem Theory Comput. 2018 May 8;14(5):2596-2608
pubmed: 29565586
J Chem Phys. 2019 Apr 21;150(15):154122
pubmed: 31005066
J Chem Theory Comput. 2022 Feb 8;18(2):883-898
pubmed: 35045709
J Phys Chem Lett. 2020 Oct 1;11(19):8208-8215
pubmed: 32876454
Inorg Chem. 2021 Jan 4;60(1):272-285
pubmed: 33322898
Phys Rev Lett. 2003 Oct 3;91(14):146401
pubmed: 14611541
J Chem Theory Comput. 2018 Mar 13;14(3):1254-1266
pubmed: 29461829
J Chem Phys. 2022 Apr 7;156(13):134105
pubmed: 35395897
Phys Chem Chem Phys. 2016 Jun 21;18(23):15519-23
pubmed: 27240749
J Phys Chem A. 2019 Jul 25;123(29):6379-6380
pubmed: 31306024
J Phys Chem A. 2021 May 20;125(19):4039-4054
pubmed: 33688730
J Chem Theory Comput. 2006 Sep;2(5):1282-90
pubmed: 26626836
J Comput Chem. 2014 Jul 30;35(20):1509-16
pubmed: 24931471
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789
pubmed: 9944570
Nat Commun. 2021 Jun 24;12(1):3927
pubmed: 34168142
J Phys Chem A. 2009 Oct 29;113(43):11974-83
pubmed: 19795892
J Chem Phys. 2019 Apr 28;150(16):161101
pubmed: 31042928
Phys Chem Chem Phys. 2016 Aug 3;18(31):20905-25
pubmed: 26950084
J Chem Theory Comput. 2014 Mar 11;10(3):1359-60
pubmed: 26580199
Phys Rev B Condens Matter. 1986 Jun 15;33(12):8822-8824
pubmed: 9938299
Phys Chem Chem Phys. 2006 May 7;8(17):1985-93
pubmed: 16633685
J Chem Theory Comput. 2011 Aug 9;7(8):2427-2438
pubmed: 21836824
J Chem Phys. 2012 Apr 21;136(15):154101
pubmed: 22519309
J Phys Chem A. 2018 Mar 1;122(8):2184-2197
pubmed: 29389130
J Chem Phys. 2020 May 14;152(18):184107
pubmed: 32414256
J Phys Chem A. 2016 May 26;120(20):3754
pubmed: 27183328
J Chem Theory Comput. 2021 May 11;17(5):2783-2806
pubmed: 33881869
J Chem Phys. 2015 Aug 7;143(5):054107
pubmed: 26254642
Front Chem. 2021 Jul 12;9:705762
pubmed: 34322476
J Chem Theory Comput. 2013 Nov 12;9(11):4735-43
pubmed: 26583392
J Chem Phys. 2010 Apr 21;132(15):154104
pubmed: 20423165
J Chem Theory Comput. 2013 Aug 13;9(8):3364-3374
pubmed: 24098094
Chem Rev. 2016 May 11;116(9):5105-54
pubmed: 27077966
Chemphyschem. 2019 Jan 7;20(1):92-102
pubmed: 30443980
Inorg Chem. 2017 Jan 17;56(2):956-961
pubmed: 28032756
J Chem Phys. 2012 Apr 21;136(15):150901
pubmed: 22519306
J Chem Theory Comput. 2015 Oct 13;11(10):4601-14
pubmed: 26574251
J Chem Phys. 2018 Feb 14;148(6):064104
pubmed: 29448802
Chem Rev. 2020 Aug 12;120(15):7065-7103
pubmed: 32574047
J Comput Chem. 2013 Jul 15;34(19):1672-85
pubmed: 23670872
Inorg Chem. 2022 Mar 7;61(9):3903-3917
pubmed: 35180346
J Chem Theory Comput. 2019 Jul 9;15(7):4295-4296
pubmed: 31181887
J Phys Condens Matter. 2018 May 31;30(21):213001
pubmed: 29633964
J Org Chem. 2021 Nov 5;86(21):15522-15531
pubmed: 34612629
Phys Rev A Gen Phys. 1988 Sep 15;38(6):3098-3100
pubmed: 9900728
J Phys Chem A. 2015 Mar 12;119(10):2058-82
pubmed: 25648634
J Chem Theory Comput. 2010 Jan 12;6(1):107-26
pubmed: 26614324
J Chem Theory Comput. 2015 Aug 11;11(8):3785-801
pubmed: 26574460
Phys Chem Chem Phys. 2020 Apr 14;22(14):7169-7192
pubmed: 32073075
J Phys Chem A. 2019 May 2;123(17):3761-3781
pubmed: 30973722
J Chem Theory Comput. 2020 Oct 13;16(10):6305-6316
pubmed: 32941026
J Chem Phys. 2014 May 14;140(18):18A301
pubmed: 24832308
J Chem Theory Comput. 2021 Oct 12;17(10):6134-6151
pubmed: 34546754
J Chem Theory Comput. 2015 Jun 9;11(6):2473-86
pubmed: 26575547
Phys Rev Lett. 2015 Jul 17;115(3):036402
pubmed: 26230809
J Phys Chem A. 2018 Dec 13;122(49):9585-9586
pubmed: 30507190
J Phys Chem A. 2021 Sep 2;125(34):7382-7395
pubmed: 34428051
J Comput Chem. 2020 Jul 5;41(18):1660-1684
pubmed: 32297682
J Phys Chem A. 2005 Mar 10;109(9):2012-8
pubmed: 16833536
J Phys Chem A. 2005 Dec 8;109(48):10961-74
pubmed: 16331940
J Phys Chem Lett. 2020 Nov 5;11(21):9248
pubmed: 33073997
Phys Chem Chem Phys. 2013 Oct 14;15(38):16031-42
pubmed: 23963317