Browsing by Author Besora, Maria

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 2456 to 2475 of 4253 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-740.324242517; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcoso3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-541.857136332; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcpdhph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1040.89683066; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcpdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-697.338519217; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-844.987544934; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcptph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-688.815892917; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcrhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-717.933554306; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcrush4Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point TSRB3LYP6-31+g*; sdd-1916.43657437; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcsnme3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-349.150927248; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhctame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-442.679121118; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1665.13578809; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcwco5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-860.158602588; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcyh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-645.910100875; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-493.078737229; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhczncl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1834.22405377; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcznnh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-509.363383573; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhcZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2574.75199997; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nhczrome3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-618.692532268; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3agnhcBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-547.572534931; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes nme3alcl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*-1797.78834700; Eh