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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Feb-2023/neutral_H 20Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-654.270923761; Eh
thumbnail.jpeg13-Feb-2023/neutral_H 21Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-654.270634705; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion10 HDMS-Guo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2SVP-872.431874692; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion42 42_anion_IM_bGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.31087534; Eh
thumbnail.jpeg13-Feb-2023/base-driven_skeletal_rearrangements_/anion10 HDMSGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-872.971643342; Eh
thumbnail.jpeg13-Feb-2023/anion_SPh 42_anion_aGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-1282.30994719; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-13Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-499.060071293; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-24Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-461.911617249; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-2Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-580.474393574; Eh
thumbnail.jpeg13-Feb-2023/homoconjugation CS-37Guo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2TZVPP-349.879773374; Eh
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