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Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
Crystal, Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives
(1998-12-01)
The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, 1-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitro-indoline, and 1-acetyl-5-bro ...
Basicities of primary arylamines and calculated amine nitrogen electronic charges
(Editora Unesp, 1998-01-01)
Foram calculadas as cargas de Mülliken sobre os átomos de nitrogênio para diversas arilaminas, empregando-se para tal o método AM1 da Química Quântica. Tais cargas foram relacionadas com os valores experimentais dos pKa ...
Basicities of primary arylamines and calculated amine nitrogen electronic charges
(Editora Unesp, 1998-01-01)
Foram calculadas as cargas de Mülliken sobre os átomos de nitrogênio para diversas arilaminas, empregando-se para tal o método AM1 da Química Quântica. Tais cargas foram relacionadas com os valores experimentais dos pKa ...
Basicities of primary arylamines and calculated amine nitrogen electronic charges
(Editora Unesp, 1998-01-01)
Mulliken charges on nitrogen atoms were calculated for several arylamines, utilizing the AM1 Quantum Chemistry method, relating their values to experimental amine pKa Direct relation between pKa and nitrogen charges was ...
Basicities of primary arylamines and calculated amine nitrogen electronic charges
(Editora Unesp, 2014)
CHEMICAL BASIS FOR THE ANTIMICROBIAL ACTIVITY OF ACETANILIDES
(Sociedad Chilena de Química, 2003)
Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
(Oldenbourg Verlag, 2007-01-01)
(1) C13H13N3O5, Mr = 291.26, P (1) over bar, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) angstrom, alpha = 86.804(5), beta = 78.471(7), gamma = 69.401(8)degrees, V = 657.3(2)angstrom(3), Z = 2, R-1 = 0.0454; (2) C11H12N2O4, ...
Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations
(Oldenbourg Verlag, 2007-01-01)
(1) C13H13N3O5, Mr = 291.26, P (1) over bar, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) angstrom, alpha = 86.804(5), beta = 78.471(7), gamma = 69.401(8)degrees, V = 657.3(2)angstrom(3), Z = 2, R-1 = 0.0454; (2) C11H12N2O4, ...