Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1‑Propanol Radicals
Ferro-Costas, David, Martínez-Núñez, Emilio, Rodríguez-Otero, Jesús, Cabaleiro-Lago, Enrique, Estévez, Carlos M, Fernández, Berta, Fernández-Ramos, Antonio, Vázquez, Saulo A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.05.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (31.05.2018)
Get full text
Journal Article
Anion-π Aromatic Neutral Tweezers Complexes: Are They Stable in Polar Solvents?
Sánchez-Lozano, Marta, Otero, Nicolás, Hermida-Ramón, Jose M, Estévez, Carlos M, Mandado, Marcos
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.03.2011)
Get full text
Journal Article
Photodissociation of formic acid: A trajectory surface hopping study
Martínez-Núñez, Emilio, Vázquez, Saulo, Granucci, Giovanni, Persico, Maurizio, Estevez, Carlos M.
Published in Chemical physics letters (25.08.2005)
Published in Chemical physics letters (25.08.2005)
Get full text
Journal Article
Synthesis, spectral studies, crystal structures and TDDFT studies of the rhenium(I) complexes of 2,4-dihydroxy-N′-(4-hydroxybenzilidene) benzohydrazide
Sánchez-Lozano, Marta, Vázquez-López, Ezequiel M., Hermida-Ramón, José M., Estévez, Carlos M.
Published in Polyhedron (13.04.2011)
Published in Polyhedron (13.04.2011)
Get full text
Journal Article
Hydrogen Transfer vs Proton Transfer in 7-Hydroxy-quinoline·(NH3)3: A CASSCF/CASPT2 Study
Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Vázquez, Saulo A, Ríos, Miguel A, Estévez, Carlos M, Merchán, Manuela, Serrano-Andrés, Luis
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2007)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (05.07.2007)
Get full text
Journal Article
Interaction model between quercetin (3,5,7,3p,4p-pentahidroxiflavone) and human shock thermic factor (HFS)
Clavijo B., Diana Carolina, Yosa R., Juvenal, Acevedo S., Orlando, Cifuentes, Claudia, Estévez Bretón, Carlos M
Published in Revista cuarzo (En línea) (18.09.2017)
Published in Revista cuarzo (En línea) (18.09.2017)
Get full text
Journal Article
Nature of the Transition Structure for Alkene Epoxidation by Peroxyformic Acid, Dioxirane, and Dimethyldioxirane: A Comparison of B3LYP Density Functional Theory with Higher Computational Levels
Bach, Robert D, Glukhovtsev, Mikhail N, Gonzalez, Carlos, Marquez, Manuel, Estévez, Carlos M, Baboul, Anwar G, Schlegel, H. Bernhard
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.08.1997)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (21.08.1997)
Get full text
Journal Article
Structural Study of Methane Hydrate
Hermida-Ramón, Jose M., Graña, Ana M., Estévez, Carlos M.
Published in Structural chemistry (01.10.2007)
Published in Structural chemistry (01.10.2007)
Get full text
Journal Article
Reactivity of Alkyl versus Silyl Peroxides. The Consequences of 1,2-Silicon Bridging on the Epoxidation of Alkenes with Silyl Hydroperoxides and Bis(trialkylsilyl)peroxides
Estévez, Carlos M, Dmitrenko, Olga, Winter, Julie E, Bach, Robert D
Published in Journal of organic chemistry (15.12.2000)
Published in Journal of organic chemistry (15.12.2000)
Get full text
Journal Article
Novel Structural Modifications Associated with the Highly Efficient Internal Conversion of 2-(2‘-Hydroxyphenyl)benzotriazole Ultraviolet Stabilizers
Estévez, Carlos M, Bach, Robert D, Hass, K. C, Schneider, W. F
Published in Journal of the American Chemical Society (11.06.1997)
Published in Journal of the American Chemical Society (11.06.1997)
Get full text
Journal Article
Direct Dynamics Study of the Dissociation and Elimination Channels in the Thermal Decomposition of Methyl Nitrite
Fernández-Ramos, Antonio, Martínez-Núñez, Emilio, Ríos, Miguel A, Rodríguez-Otero, Jesús, Vázquez, Saulo A, Estévez, Carlos M
Published in Journal of the American Chemical Society (05.08.1998)
Published in Journal of the American Chemical Society (05.08.1998)
Get full text
Journal Article