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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Feb-2023/anion_H 10_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.732961954; Eh
thumbnail.jpeg13-Feb-2023/anion_H 11_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.725901972; Eh
thumbnail.jpeg13-Feb-2023/anion_H 12_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.741373274; Eh
thumbnail.jpeg13-Feb-2023/anion_H 13_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.744067585; Eh
thumbnail.jpeg13-Feb-2023/anion_H 14_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.749053812; Eh
thumbnail.jpeg13-Feb-2023/anion_H 15_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.737453356; Eh
thumbnail.jpeg13-Feb-2023/anion_H 16_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.723921145; Eh
thumbnail.jpeg13-Feb-2023/anion_H 17_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.726858719; Eh
thumbnail.jpeg13-Feb-2023/anion_H 18(23)_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.745633620; Eh
thumbnail.jpeg13-Feb-2023/anion_H 19(20)_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.741017024; Eh
thumbnail.jpeg13-Feb-2023/anion_H 21_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.736090134; Eh
thumbnail.jpeg13-Feb-2023/anion_H 22(25)_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.749940389; Eh
thumbnail.jpeg13-Feb-2023/anion_H 24(26)_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.743855131; Eh
thumbnail.jpeg13-Feb-2023/anion_H 27_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.752569035; Eh
thumbnail.jpeg13-Feb-2023/anion_H 28_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.740945544; Eh
thumbnail.jpeg13-Feb-2023/anion_H 30_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.718672436; Eh
thumbnail.jpeg13-Feb-2023/anion_H 32_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.729826221; Eh
thumbnail.jpeg13-Feb-2023/anion_H 33_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.753234785; Eh
thumbnail.jpeg13-Feb-2023/anion_H 34_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.753053106; Eh
thumbnail.jpeg13-Feb-2023/anion_H 9(29)_anionGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRPBE1PBEDEF2SVP-653.746063916; Eh