Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaaaGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-11163.2511410; Eh
thumbnail.jpeg20-Jul-2022/Rh2(s-TCPTTL)4 rh2stcpttl4_aaabGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPGENECP-11163.2330458; Eh
thumbnail.jpeg20-Jul-2022/triplet_state Bach_iPr_CA_TS1_tripletGuo, WentaoGaussian; 09; AM64L-G09RevD.01Single point StructureUB3LYPGENECP-4319.9902614; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_aabb2_cisGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-5625.18364187; Eh
thumbnail.jpeg9-Jan-2024/Rh2(s-dosp)4_system dosp_TS0_abbb_transGuo, WentaoGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPGENECP-5625.16797090; Eh
thumbnail.jpeg9-Jan-2024/model_system TS4_H-cis-chair-in-highGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80239977; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-chair-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81347208; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.80665309; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-trans-chair-inGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81328645; Eh
thumbnail.jpeg9-Jan-2024/model_system TS5_H-cis-boat-outGuo, WentaoGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPGENECP-1553.81240546; Eh
Results 81-90 of 175 (Search time: 0.001 seconds).