Browsing by Author Garay Ruiz, Diego

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 172 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-188.536756131; Eh
thumbnail.jpeg29-Oct-2019conc_ts2_to_am_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.42579384; Eh
thumbnail.jpeg29-Oct-2019conc_ts_to_b2hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.42651216; Eh
Login required10-Jan-2020HC_Br_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.23044636; Eh
Login required10-Jan-2020HC_Br_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.280420448706; Eh
Login required10-Jan-2020HC_Br_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.272320108387; Eh
Login required10-Jan-2020HC_OCO2_n1_M062X_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.23646215; Eh
Login required10-Jan-2020HC_OCO2_n1_M062X_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-3170.21675640; Eh
Login required10-Jan-2020HC_OCO2_n1_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.286369386816; Eh
Login required10-Jan-2020HC_OCO2_n1_PM6_tolGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.266721812987; Eh
Login required10-Jan-2020HC_OCO2_n1_PM7_pcaGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.273837473051; Eh
Login required10-Jan-2020HC_OCO2_n1_PM7_tolGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.256255435922; Eh
Login required10-Jan-2020HC_OCO2_n2_PM6_pcaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.285967301769; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.402189358054; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.354651849690; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2955.98984752; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-0.366830278408; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization Minimum-VSTO-6G ZDO-0.388629199435; Eh
Login required10-Jan-2020hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2956.02339262; Eh
thumbnail.jpeg29-Oct-2019isom_epoxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-462.296909838; Eh