Browsing by Title

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 5934 to 5953 of 25648 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jul-2018/G09/G09_P303/H2 H2Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1.17475627714; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/HNO3 HNO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.901855340; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Int IntPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2961.01312432; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/NO3 NO3Petrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--280.462693957; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Product ProductPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-2959.73691550; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Py PyPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--248.306049404; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/UO2_2NO3_2H2O UO2_2NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1341.24131439; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/UO2_NO3_2H2O UO2_NO3_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.71341943; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/UO2_OH_NO3_H2O UO2_OH_NO3_H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*; SDD-1060.29703069; Eh
thumbnail.jpeg22-Jul-2018/G09/G09_P303/Water WaterPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--76.4308447956; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2NO3_xH2O/UO2_2H2O UO2_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GEN-1341.2377265; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2NO3_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GEN-1417.6626273; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2NO3_xH2O/UO2_H2O UO2_H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+G* SDD GEN-1264.7817836; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2OH_xH2O/UO2_2H2O UO2_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-932.245820088; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2OH_xH2O/UO2_3H2O UO2_3H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1008.68549771; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_2OH_xH2O/UO2_H2O UO2_H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-855.799503896; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_H2Ox/UO2_4H2O UO2_4H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-933.076176788; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_H2Ox/UO2_5H2O UO2_5H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1009.53145877; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_H2Ox/UO2_6H2O UO2_6H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1085.96838323; Eh
thumbnail.jpeg15-Jan-2020/G09/UO2_NO3_xH2O/UO2_2H2O UO2_2H2OPetrus, EnricGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G* SDD GEN-1060.71341943; Eh