Search

Current filters:
Add filters:
  • previous
  • 1
  • next
Item hits:
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Minima WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-76.4666514750; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/vacuum WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-76.4598287; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/solution WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-76.4666514750; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.05656923; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.06452542; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631d WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D)-76.4313487658; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-76.4424827505; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp_PCM WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-76.4410790803; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-76.4666576560; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/bp86 WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RBP866-31+G(D,P)-76.4423603809; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-76.3569875082; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbe1pbe WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBE1PBE6-31+G(D,P)-76.3575579942; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m06 WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM066-31+G(D,P)-76.4063652861; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m062x WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062X6-31+G(D,P)-76.4034997987; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/wb97xd WaterPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RwB97XD6-31+G(D,P)-76.4180817126; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-76.03364317; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVTZ WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.06414793; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVQZ WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVQZ; AutoAux-76.07186450; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpV5Z WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pV5Z; AutoAux-76.07418742; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Minima Water_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-76.4323158176; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Water_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-76.3797445488; Eh
  • previous
  • 1
  • next
Results 1-21 of 21 (Search time: 0.002 seconds).