Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Nov-2018/SR_1_to_RSR_1_Semiempirical SR-1toRSR-2_DFTB3_RSR-2productVan der Kamp, Marc; Serapian, StefanoGaussian; 09; AS64L-G09RevD.01Single point MinimumRDFTB--85.1353335038; Eh
thumbnail.jpeg19-Nov-2018/RS_1_to_RRS_1_DFT RS-1toRRS-2_B3LYP_6-31plGdp_transition-stateVan der Kamp, Marc; Serapian, StefanoGaussian; 09; ES64L-G09RevD.01Single point MinimumRB3LYP--1612.70986788; Eh
Login required29-Mar-2020Scan-TS3-noAsPh3Garcia Melchor, MaxGaussian; 09; ES64L-G09RevE.01Single point Minimum-LANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D)-11051.5263886; Eh
thumbnail.jpeg30-Jun-2021/initial_complexes Complex_4_H2Ortuño Maqueda, Manuel AngelGaussian; 09; AM64L-G09RevC.01Single point MinimumRM06SDD 6-31G(D) 6-31G(D,P) GEN-1968.07177083; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(1,3-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1896.59674013; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(1,2,3-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.27537003; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(2,4,7-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.28091762; Eh
thumbnail.jpeg18-May-2021/ECLIPSED Cr(6-Me_ind)2_EC_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1817.91855069; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(1-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1817.91756366; Eh
thumbnail.jpeg18-May-2021/STAGGERED Cr(2,4,7-Me_ind)2_STAG_lsNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-1975.28076608; Eh
Results 1-10 of 58 (Search time: 0.002 seconds).