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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required19-Apr-2024/BN_Branch opt_B4N2H-1_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4N2H_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4N3H_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4NH3BH3Me_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4NHBH2NH2CH3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4NHMeBH2NH3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_B4NHMeBH3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_BH22N-New-1_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_BH22N-New-2_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_BH22N-New-3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_BH22NH2Me_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NH2CH3_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NHMe_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NHMeBH2NH2Me_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NHMeBH2NH3_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NHMeBH3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single pointS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NMeBH2NH2Me_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NMeBH2NH3_-1_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch opt_HB3NMeBH3-0-1_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point QuildS12g-x PBEc--
Login required19-Apr-2024/BN_Branch/NMR nmr_kt2_B3NHMeBH2NH3_0_1Santha Bhaskaran, AthulADF; 2019; 304Single point NMRKT1xc--