Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Jul-2022THFOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumRM062X6-31G** 6-31+G* GEN-232.354615349; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07636395; Eh
thumbnail.jpeg20-Jul-2022/Bach_iPr_system Bach_iPr_CT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevC.01Single point MinimumRB3LYPGENECP-4320.07215131; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TT_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8622587; Eh
thumbnail.jpeg20-Jul-2022/fDavies_Ph fDavies_Ph_TA_TS1Guo, WentaoGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPGENECP-14577.8430934; Eh
Login required20-Jul-2022/DFT/R1=OEt/L2=NCSe/R2=CF3 LS_para_CF3_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-10694.6970226; Eh
Login required20-Jul-2022/DFT/R1=OEt/L2=NCBH3/R2=OH LS_para_OH_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP GEN-2784.42928563; Eh
Login required20-Jul-2022/DFT/R1=OEt/L2=NCSe/R2=Me LS_para_Me_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-9801.14591919; Eh
Login required20-Jul-2022/DFT/R1=OBu/L2=NCS LS_no_substitutedNavarro, LaiaGaussian; 16; ES64L-G16RevB.01Single point MinimumUTPSShDEF2TZVP-3752.00880827; Eh
Login required19-Sep-2022/Common_Structures Br_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-2574.02294397; Eh
Results 101-110 of 112 (Search time: 0.001 seconds).