1. Institute of Chemical Research of Catalonia

Browsing by Subject Ketocarbonates

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 21 to 40 of 46 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-2021H_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.68945387; Eh
thumbnail.jpeg29-Sep-2021HOACVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-228.811720929; Eh
thumbnail.jpeg29-Sep-2021I_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.68538156; Eh
thumbnail.jpeg29-Sep-2021I_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.68626080; Eh
thumbnail.jpeg29-Sep-2021J_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.71231544; Eh
thumbnail.jpeg29-Sep-2021J_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.70928219; Eh
thumbnail.jpeg29-Sep-2021K_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.71876295; Eh
thumbnail.jpeg29-Sep-2021K_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2278.71976443; Eh
thumbnail.jpeg29-Sep-2021Products_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.56388503; Eh
thumbnail.jpeg29-Sep-2021Products_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.55528383; Eh
thumbnail.jpeg29-Sep-2021Reactants_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50044392; Eh
thumbnail.jpeg29-Sep-2021Reactants_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50599312; Eh
thumbnail.jpeg29-Sep-2021TS-2A_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.64752428; Eh
thumbnail.jpeg29-Sep-2021TS-2A_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65013713; Eh
thumbnail.jpeg29-Sep-2021TS-2B_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65359935; Eh
thumbnail.jpeg29-Sep-2021TS-2B_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2278.65584418; Eh
thumbnail.jpeg29-Sep-2021TS-3A_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.48872087; Eh
thumbnail.jpeg29-Sep-2021TS-3A_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.48717985; Eh
thumbnail.jpeg29-Sep-2021TS-3B_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.49456248; Eh
thumbnail.jpeg29-Sep-2021TS-3B_SVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRPBE1PBESDD SDD/DEF2TZV-2507.50428397; Eh
Showing results 21 to 40 of 46 < previous   next >