Ab initio study of the mechanism of the atmospheric reaction: NO2 + O3 → NO3 + O2
Peiró-García, Julio, Nebot-Gil, Ignacio
Published in Journal of computational chemistry (01.10.2003)
Published in Journal of computational chemistry (01.10.2003)
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Journal Article
Methyl Vinyl Ketone+OH and Methacrolein+OH Oxidation Reactions: A Master Equation Analysis of the Pressure- and Temperature-Dependent Rate Constants
Ochando-Pardo, Montserrat, Nebot-Gil, Ignacio, González-Lafont, Àngels, Lluch, José M.
Published in Chemistry : a European journal (22.01.2007)
Published in Chemistry : a European journal (22.01.2007)
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Journal Article
A theoretical ab initio study on the H2NO + O3 reaction
Peiró-García, Julio, Ramírez-Ramírez, Víctor M., Nebot-Gil, Ignacio
Published in Journal of computational chemistry (01.08.2003)
Published in Journal of computational chemistry (01.08.2003)
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Journal Article
Comparative G2(MP2) Study of H3NBX3 and H3PBX3 (X = H, F, and Cl) Donor−Acceptor Complexes
Anane, Hafid, Boutalib, Abderrahim, Nebot-Gil, Ignacio, Tomás, Francisco
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.08.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.08.1998)
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Journal Article
A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes
Anane, Hafid, El Houssame, Soufiane, El Guerraze, Abdelali, Guermoune, Abdeladim, Boutalib, Abderrahim, Jarid, Abedellah, Nebot-Gil, Ignacio, Tomás, Francisco
Published in Central European journal of chemistry (01.09.2008)
Published in Central European journal of chemistry (01.09.2008)
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Journal Article
New dimension indices for the characterization of the solvent-accessible surface
Torrens, Francisco, Sánchez-Marín, José, Nebot-Gil, Ignacio
Published in Journal of computational chemistry (15.04.2001)
Published in Journal of computational chemistry (15.04.2001)
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Journal Article
Size-consistent single-reference methods for electronic correlation: a unified formulation through intermediate hamiltonian theory
Sánchez-Marín, José, Nebot-Gil, Ignacio, Malrieu, Jean Paul, Heully, Jean Louis, Maynau, Daniel
Published in Theoretica Chimica Acta (01.04.1996)
Published in Theoretica Chimica Acta (01.04.1996)
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Journal Article
Diradicalar or ionic twisted excited states in the singlet cis-trans isomerization of polyenes?
Nebot-Gil, Ignacio, Malrieu, Jean Paul
Published in Journal of the American Chemical Society (01.06.1982)
Published in Journal of the American Chemical Society (01.06.1982)
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