QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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Theoretical study of the ion-molecule reaction of the vinyl cation with ethane
Pablo Campomanes
,
Dimas Suárez
,
Tomás L. Sordo
Source Document
DOI
Competition between hetero-Diels-Alder and cheletropic addition of sulfur dioxide. Theoretical and experimental substituent effects on the relative stability of 3,6-dihydro-1,2-oxathiin-2-oxides (sultines) and 2,5-dihydrothiophene-1,1-dioxides (sulfolenes). Anomeric effects in sultine and 6-substituted derivatives
Tino Fernández
,
Dimas Suárez
,
José A. Sordo
,
Frédéric Monnat
,
Elena Roversi
,
Antonio Estrella De Castro
,
Kurt Schenk
,
Pierre Vogel
Source Document
DOI
Contribution of the basal planes to carbon basicity: An ab initio study of the H(3)O(+)-pi interaction in cluster models
Miguel A. Montes-Morán
,
J. Angel Menéndez
,
Enrique Fuente
,
Dimas Suárez
Source Document
DOI
Ions in crystals: the topology of the electron density in ionic materials. III. Geometry and ionic radii
Ángel Martín Pendás
On the origin of the endo/exo selectivity in Diels-Alder reactions
D. Suárez
,
J. A. Sordo
Source Document
DOI
Quantum-mechanical study of thermodynamic and bonding properties of MgF2
Ángel Martín Pendás
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 complex
Saturnino Calvo-Losada
,
José Joaquín Quirante
,
Dimas Suárez
,
Tomás Luis Sordo
Source Document
DOI
Theoretical studies of the formation of beta-lactams
Dimas Suárez Rodríguez
Theoretical study of the [2+2] cycloaddition of thioketenes with imines to form beta-thiolactams
Ramón López
,
Dimas Suárez
,
Tomás L. Sordo
,
Manuel F. Ruiz-López
Source Document
DOI
Theoretical study of the reaction (1)[: CH2]+CHO+-> CH3++CO
Natalia Díaz
,
Dimas Suárez
,
Tomás L. Sordo
Source Document
DOI
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