Molecular Dynamics and Room Temperature Vibrational Properties of Deprotonated Phosphorylated Serine
Cimas, A, Maitre, P, Ohanessian, G, Gaigeot, M.-P
Published in Journal of chemical theory and computation (08.09.2009)
Published in Journal of chemical theory and computation (08.09.2009)
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Journal Article
Computational study on the kinetics of the reaction of N(4S) with CH2F
CIMAS, A, ASCHI, M, BARRIENTOS, C, RAYON, V. M, SORDO, J. A, LARGO, A
Published in Chemical physics letters (18.06.2003)
Published in Chemical physics letters (18.06.2003)
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Journal Article
A computational study on the reaction of N(2D) atoms with CH2Cl radicals
Cimas, A., Rayón, V.M., Barrientos, C., Aschi, M., Sordo, J.A., Largo, A.
Published in Chemical physics letters (28.04.2006)
Published in Chemical physics letters (28.04.2006)
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Journal Article
MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers
Verzeni, R., Mó, O., Cimas, A., Corral, I., Yáñez, M.
Published in Theoretical chemistry accounts (01.03.2013)
Published in Theoretical chemistry accounts (01.03.2013)
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Journal Article
Structure and Stability of Small NaCn, NaCn+, and NaCn- Clusters: A Theoretical Study
REDONDO, Pilar, BARRIENTOS, Carmen, CIMAS, Alvaro, LARGO, Antonio
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08.01.2004)
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Journal Article
Computational study of the reaction of N(2D) atoms with CH2F radicals: an example of a barrier-free reaction involving very high internal energies
Cimas, Alvaro, Rayón, Víctor M, Aschi, Massimiliano, Barrientos, Carmen, Sordo, José A, Largo, Antonio
Published in The Journal of chemical physics (15.09.2005)
Published in The Journal of chemical physics (15.09.2005)
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Journal Article
Reaction of N(2D) atoms with bromomethyl radicals: A theoretical study
Cimas, A., Rayón, V.M., Barrientos, C., Aschi, M., Sordo, J.A., Largo, A.
Published in Chemical physics (29.09.2006)
Published in Chemical physics (29.09.2006)
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Journal Article
A computational study on the reaction of N( 2D) atoms with CH 2Cl radicals
Cimas, A., Rayón, V.M., Barrientos, C., Aschi, M., Sordo, J.A., Largo, A.
Published in Chemical physics letters (2006)
Published in Chemical physics letters (2006)
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Journal Article
Theoretical study of CnCl, CnCl+, CnCl− (n=1-7) clusters
Largo, Antonio, Cimas, Alvaro, Redondo, Pilar, Barrientos, Carmen
Published in International journal of quantum chemistry (2001)
Published in International journal of quantum chemistry (2001)
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Journal Article
A Computational Study of the Reaction of Ground-State Nitrogen Atoms with Chloromethyl Radicals
Cimas, Alvaro, Rayón, Víctor M, Aschi, Massimiliano, Barrientos, Carmen, Sordo, José A, Largo, Antonio
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2005)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (28.07.2005)
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Journal Article
Computational study on the kinetics of the reaction of N( 4S) with CH 2F
Cimas, A, Aschi, M, Barrientos, C, Rayón, V.M, Sordo, J.A, Largo, A
Published in Chemical physics letters (2003)
Published in Chemical physics letters (2003)
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Journal Article
The Reaction of N(4S) with CH2F: A Comparative ab Initio and DFT Study
Menéndez, Bibiana, Rayón, Víctor M, Sordo, José A, Cimas, Alvaro, Barrientos, Carmen, Largo, Antonio
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.11.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.11.2001)
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Journal Article
Structure and stability of BC2P isomers: a theoretical study
Cimas, Alvaro, Barrientos, Carmen, Largo, Antonio
Published in Journal of molecular structure. Theochem (22.08.2003)
Published in Journal of molecular structure. Theochem (22.08.2003)
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Journal Article