Jose A. Gamez
Jose A. Gamez
Covestro Deutschland AG
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Assessment of approximate computational methods for conical intersections and branching plane vectors in organic molecules
A Nikiforov, JA Gamez, W Thiel, M Huix-Rotllant, M Filatov
The Journal of Chemical Physics 141 (12), 124122, 2014
Cooperating Dinitrogen and Phenyl Rotations in trans-Azobenzene Photoisomerization
JA Gámez, O Weingart, A Koslowski, W Thiel
Journal of chemical theory and computation 8 (7), 2352-2358, 2012
Computational design of a family of light-driven rotary molecular motors with improved quantum efficiency
A Nikiforov, JA Gamez, W Thiel, M Filatov
The journal of physical chemistry letters 7 (1), 105-110, 2016
The di-interstitial in graphite
CD Latham, MI Heggie, JA Gámez, I Suarez-Martinez, CP Ewels, ...
Journal of physics: condensed matter 20 (39), 395220, 2008
Gallium Halides as Alternative Ligands to CO and N2 in Transition Metal Complexes: A Bonding Analysis
JA Gámez, R Tonner, G Frenking
Organometallics 29 (21), 5676-5680, 2010
Electron capture activation of the disulfide bond. The role of the asymmetry and electronegativity
JA Gámez, L Serrano-Andrés, M Yáńez
Physical Chemistry Chemical Physics 12 (5), 1042-1050, 2010
Torands Revisited: Metal Sequestration and Self‐Assembly of Cyclo‐2, 9‐tris‐1, 10‐phenanthroline Hexaaza Macrocycles
MG Schwab, M Takase, A Mavrinsky, W Pisula, X Feng, JA Gámez, ...
Chemistry–A European Journal 21 (23), 8426-8434, 2015
Asymmetry and electronegativity in the electron capture activation of the Se− Se Bond: σ*(Se− Se) vs σ*(Se− X)
JA Gamez, M Yanez
Journal of chemical theory and computation 6 (10), 3102-3112, 2010
Periodic Decay in the Photoisomerisation of p-Aminoazobenzene
JA Gámez, O Weingart, A Koslowski, W Thiel
Physical Chemistry Chemical Physics 15 (28), 11814-11821, 2013
Strong Dissimilarities Between the Gas‐Phase Acidities of Saturated and α, β‐Unsaturated Boranes and the Corresponding Alanes and Gallanes
JA Gámez, JC Guillemin, O Mó, M Yáńez
Chemistry–A European Journal 14 (7), 2201-2208, 2008
Is Se–Se bond cleavage the most favourable process in electron attachment to diselenides? The importance of asymmetry
JA Gámez, M Yáńez
Chemical Communications 47 (13), 3939-3941, 2011
Computational study on the kinetics of the reaction between Ca2+ and urea
A Cimas, JA Gámez, O Mó, M Yáńez, JY Salpin
Chemical Physics Letters 456 (4-6), 156-161, 2008
Enhanced E→ Z photoisomerisation in 2-aminoazobenzene
JA Gámez, A Koslowski, W Thiel
RSC Advances 4 (4), 1886-1889, 2014
[FAAF] (A = O, S, Se, Te) or How Electrostatic Interactions Influence the Nature of the Chemical Bond
JA Gámez, M Yańez
Journal of chemical theory and computation 9 (12), 5211-5215, 2013
Asymmetry and Non‐Adiabaticity in Fragmentation of Disulfide Bonds upon Electron Capture
JA Gámez, L Serrano‐Andrés, M Yáńez
ChemPhysChem 11 (12), 2530-2538, 2010
Two‐and three‐state conical intersections in the electron capture dissociation of disulfides: The importance of multireference calculations
JA Gámez, L Serrano‐andrés, M Yáńez
International Journal of Quantum Chemistry 111 (13), 3316-3323, 2011
Electron attachment to diselenides revisited: Se–Se bond cleavage is neither adiabatic nor the most favorable process
JA Gámez, M Yáñez
Journal of chemical theory and computation 7 (6), 1726-1735, 2011
Gas-phase infrared spectra of vinyl selenol and vinyl tellurol
A Benidar, B Khater, JC Guillemin, JA Gámez, M Yáńez
The Journal of Physical Chemistry A 113 (46), 12857-12863, 2009
Structures and Bonding Situation of the Allyl Systems and Cyclic Isomers [H2EE(H)–EH2]–,ˇ,+ (E = C, Si, Ge, Sn)
JA Gámez, M Hermann, G Frenking
Zeitschrift für anorganische und allgemeine Chemie 639 (14), 2493-2501, 2013
Hexaaza Macrocycles Revisited
TM Swager, B Koo
Synfacts 11 (07), 0707-0707, 2015
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