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Showing results 1 to 20 of 558  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Sep-2025100__tbu_naphtoxanthenePenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1241.04012885; Eh
Login required8-Sep-2025100__tbu_naphtoxanthene_hydePenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Single point Structure---3397.69217443; Eh
Login required8-Sep-2025100__tbu_naphtoxanthene_prodPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1242.19917704; Eh
Login required8-Sep-2025100__tbu_naphtoxanthene_tsPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1242.18182939; Eh
Login required8-Sep-2025101__bicyclo_naphtoxanthenePenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1238.62481441; Eh
Login required8-Sep-2025101__bicyclo_naphtoxanthene_hydePenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1239.30831433; Eh
Login required8-Sep-2025101__bicyclo_naphtoxanthene_prodPenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1239.78476371; Eh
Login required8-Sep-2025101__bicyclo_naphtoxanthene_protPenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1239.05443137; Eh
Login required8-Sep-2025101__bicyclo_naphtoxanthene_tsPenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1239.76396620; Eh
Login required8-Sep-2025102__me_BbenzoxanthenePenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-928.951225667; Eh
Login required8-Sep-2025102__me_Bbenzoxanthene_hydePenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-929.630152634; Eh
Login required8-Sep-2025102__me_Bbenzoxanthene_prodPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-930.106749638; Eh
Login required8-Sep-2025102__me_Bbenzoxanthene_protPenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-929.377359735; Eh
Login required8-Sep-2025102__me_Bbenzoxanthene_tsPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-930.127911087; Eh
Login required8-Sep-2025103__me_tribenzooxepinePenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1006.35345970; Eh
Login required8-Sep-2025103__me_tribenzooxepine_hydePenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1007.02305406; Eh
Login required8-Sep-2025103__me_tribenzooxepine_prodPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1007.51973778; Eh
Login required8-Sep-2025103__me_tribenzooxepine_protPenas, Francesc; Zoubritzky, LionelGaussian; 16; AS64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1006.77508017; Eh
Login required8-Sep-2025103__me_tribenzooxepine_tsPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-1007.53327518; Eh
Login required8-Sep-2025104__h_dibenzofuranPenas, Francesc; Zoubritzky, LionelGaussian; 16; ES64L-G16RevC.02Geometry optimization MinimumRwB97XDGENECP-696.668724354; Eh
Showing results 1 to 20 of 558  next >