Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Jan-2025/3c-pipr3/3c-pipr3-40-ts-t2-p1/3c-pipr3-40-ts-t2-p1-orcasp 3c-pipr3-40-ts-t2-p1-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-2229.99744145; Eh
thumbnail.jpeg26-Jan-2025/3e-pcy3/3e-pcy3-47-oacu-ref/3e-pcy3-47-oacu-ref-orcasp 3e-pcy3-47-oacu-ref-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3255.77806939; Eh
thumbnail.jpeg26-Jan-2025/3f-pcy2tbu/3f-pcy2tbu-08-c3-boh3/3f-pcy2tbu-08-c3-boh3-orcasp 3f-pcy2tbu-08-c3-boh3-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1882.76412764; Eh
thumbnail.jpeg26-Jan-2025/3k-phjohnphos/3k-phjohnphos-00-lpdoh2/3k-phjohnphos-00-lpdoh2-orcasp 3k-phjohnphos-00-lpdoh2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-3086.00448240; Eh
thumbnail.jpeg26-Jan-2025/9a-cbujohnphos/9a-cbujohnphos-15-t2/9a-cbujohnphos-15-t2-orcasp 9a-cbujohnphos-15-t2-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1953.65473647; Eh
thumbnail.jpeg26-Jan-2025/3n-cymephos/3n-cymephos-21-t4/3n-cymephos-21-t4-orcasp 3n-cymephos-21-t4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1973.94005488; Eh
thumbnail.jpeg26-Jan-2025/3x-tbubrettphos/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps/3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-opt 3x-tbubrettphos-80-ts-t5ob-t6ob-6mps-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2307.35927605; Eh
thumbnail.jpeg26-Jan-2025/3v-tbudavephos/3v-tbudavephos-25-ts-t5-t6/3v-tbudavephos-25-ts-t5-t6-opt 3v-tbudavephos-25-ts-t5-t6-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2168.17115515; Eh
thumbnail.jpeg26-Jan-2025/3a-pph3/3a-pph3-40-ts-t2-p1/3a-pph3-40-ts-t2-p1-opt 3a-pph3-40-ts-t2-p1-optSer, Cher TianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRPBEPBEDEF2SVP DEF2SVP/W06-2909.65405113; Eh
thumbnail.jpeg26-Jan-2025/3m-cyjohnphos/3m-cyjohnphos-10-ts-c3-c4/3m-cyjohnphos-10-ts-c3-c4-orcasp 3m-cyjohnphos-10-ts-c3-c4-orcaspSer, Cher TianOrca; 5.0.3; RELEASESingle point-def2-QZVPP; def2-QZVPP/C-1934.72366526; Eh
Results 2841-2850 of 5927 (Search time: 0.005 seconds).