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Showing results 37968 to 37987 of 51476 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2022/Qmodel1 Qmodel1Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86DEF2TZVP-3943.1579702; Eh
thumbnail.jpeg6-Apr-2022/Qmodel2 Qmodel2Segado, MireiaGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86LANL2DZ-3693.2432577; Eh
thumbnail.jpeg6-Apr-2022/Qmodel3 Qmodel3Segado, MireiaADF; 2019Single pointBP86TZP-
thumbnail.jpeg29-Jan-2018RKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-650.403651087; Eh
Login required1-Apr-2022r1Sanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-231.567089343; Eh
thumbnail.jpeg7-Jul-2020R1sBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* SDD GENECP-9672.05337563; Eh
thumbnail.jpeg7-Jul-2020R1tBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G* SDD GENECP-9672.05725859; Eh
thumbnail.jpeg7-Jul-2020R2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G* GENECP-347.732015551; Eh
Login required1-Apr-2022r2Sanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G(D) GENECP-409.451976868; Eh
thumbnail.jpeg29-Jan-2018R_napKuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-803.930713522; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin C6F5-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-981.814226552; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCF3-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-822.725002500; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCl-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-945.282502205; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCN-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-577.932883571; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mCOMe-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-638.342080419; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mF-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-584.919083243; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mmCF3-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-1159.76184362; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mMe-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-525.006468203; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mmF-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-684.150686899; Eh
thumbnail.jpeg23-Sep-2022/R_PhBpin mmMe-PhBpinJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G* GEN-564.326817595; Eh