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José Joaquín Quirante
José Joaquín Quirante
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Cited by
Year
Raman spectroscopy shows interchain through space charge delocalization in a mixed valence oligothiophene cation and in its Π-dimeric biradicaloid dication
J Casado, K Takimiya, T Otsubo, FJ Ramírez, JJ Quirante, RP Ortiz, ...
Journal of the American Chemical Society 130 (43), 14028-14029, 2008
412008
Rearrangement of azirine intermediates to nitriles: Theoretical study of cleavage of 3,4‐dihydro‐1aH‐azirine[2,3‐c]pyrrol‐2‐one to cyanoketene–formaldimine …
S Calvo‐Losada, JJ Quirante, D Suárez, TL Sordo
Journal of computational chemistry 19 (8), 912-922, 1998
351998
Molecular conformations and harmonic force field of 1, 3, 5-benzenetriol molecule from ab initio and density functional theory investigations
M Spoliti, L Bencivenni, JJ Quirante, F Ramondo
Journal of Molecular Structure: THEOCHEM 390 (1-3), 139-148, 1997
321997
Rationalizing the Catalytic Activity of Copper in the Cycloaddition of Azide and Alkynes (CuAAC) with the Topology of 2ρ(r) and ∇∇2ρ(r)
S Calvo-Losada, MS Pino-González, JJ Quirante
The Journal of Physical Chemistry B 119 (4), 1243-1258, 2015
312015
Pericyclic versus Pseudopericyclic Reactions. What the Laplacian of the Charge Density, ∇2ρ(r), Has To Say about It? The Case of Cycloaddition Reactions
S Calvo-Losada, JJ Quirante Sánchez
The Journal of Physical Chemistry A 112 (35), 8164-8178, 2008
262008
Ni supported on sepiolite catalysts for the hydrogenation of furfural to value-added chemicals: Influence of the synthesis method on the catalytic performance
A Guerrero-Torres, CP Jiménez-Gómez, JA Cecilia, C García-Sancho, ...
Topics in Catalysis 62, 535-550, 2019
212019
Influence of the incorporation of basic or amphoteric oxides on the performance of Cu-based catalysts supported on sepiolite in furfural hydrogenation
A Guerrero-Torres, CP Jiménez-Gómez, JA Cecilia, C García-Sancho, ...
Catalysts 9 (4), 315, 2019
202019
The vinylcyclopropane rearrangement: An AM1 study
JJ Quirante, F Enriquez, JM Hernando
Journal of Molecular Structure: THEOCHEM 204, 193-200, 1990
181990
On the regioselectivity of the mononuclear copper-catalyzed cycloaddition of azide and alkynes (CuAAC). A quantum chemical topological study
S Calvo-Losada, MS Pino, JJ Quirante
Journal of molecular modeling 20, 1-7, 2014
162014
Structure, polarized micro-Raman and FT-IR spectra, and ab initio calculations of 1, 2-dicyanobenzene
JT Lopez Navarrete, JJ Quirante, MAG Aranda, V Hernandez, FJ Ramirez
The Journal of Physical Chemistry 97 (41), 10561-10569, 1993
131993
Exploring the regioselectivity in the cycloaddition of azides to alkynes catalyzed by dinuclear copper clusters (Cu 2 AAC reaction) using the topologies of∇ 2 ρ (r) and∇∇ 2 …
S Calvo-Losada, JJ Quirante
Journal of Molecular Modeling 23, 1-11, 2017
112017
Study of the bimolecular pyrolysis of acetic acid by the Austin Model 1 semi-empirical method
JJ Quirante
Journal of analytical and applied pyrolysis 31, 169-175, 1995
101995
Synthesis of tetrazole fused azepanes and quantum chemical topology study on the mechanism of the intramolecular cycloaddition reaction
MS Pino-Gonzalez, A Romero-Carrasco, S Calvo-Losada, N Oña-Bernal, ...
RSC advances 7 (79), 50367-50371, 2017
92017
Quantum mechanical study and vibrational spectra of indazolium-3-carboxylate and its decarboxylation product, the N-heterocyclic carbene indazol-3-ylidene
A Schmidt, B Snovydovych, J Casado, JJ Quirante, JTL Navarrete, ...
Physical Chemistry Chemical Physics 11 (2), 341-348, 2009
92009
Harmonic force filed for amino acid L-glutamine by MNDO semiempirical method
JTL Navarrete, JJ Quirante, FJ Ramírez
Journal of molecular structure 294, 49-52, 1993
91993
Competition between Wolff Rearrangement and 1, 2-Hydrogen Shift in β-Oxy-α-ketocarbenes: Electrostatic and Specific Solvent Effects
S Calvo-Losada, D Suárez, TL Sordo, JJ Quirante
The Journal of Physical Chemistry B 103 (34), 7145-7150, 1999
81999
AM1 study of the cycloaddition of singlet methylene to butadiene and the vinylcyclopropane rearrangement
JJ Quirante, F Enriquez, JM Hernando
Journal of Molecular Structure: THEOCHEM 254, 493-504, 1992
81992
Study of the Interconversion of Isomers of [16] annulene by the AM1 Method
JM Hernando, JJ Quirante, F Enríquez
Collection of Czechoslovak chemical communications 57 (1), 1-6, 1992
81992
DFT study of competitive Wolff rearrangement and [1, 2]-hydrogen shift of β-oxy-α-diazo carbonyl compounds
S Calvo-Losada, JJ Quirante
Journal of Molecular Structure: THEOCHEM 398, 435-443, 1997
71997
Study of the interconversion of the isomers of 14-annulene by the AM1 method
JM Hernando, JJ Quirante, F Enriquez
Journal of Molecular Structure: THEOCHEM 204, 201-208, 1990
71990
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