List of QCEXVAL publications in 2014:

“A Theoretical Study of the Intramolecular Charge Transfer in 4-(dimethylamino)benzethyne”
Javier Segarra-Martí and Pedro B. Coto
Physical Chemistry Chemical Physics (2014), Vol. 16, 25642-25648 
“Computational Determination of the Dominant Triplet Population Mechanism in Photoexcited Benzophenone”
Dumitru-C. Sergentu, Rémi Maurice, Remco W. A. Havenith, Ria Broer and Daniel Roca-Sanjuán
Physical Chemistry Chemical Physics (2014), Vol. 16, 25393-25403
“Can the Hexagonal Ice-like Model Render the Spectroscopic Fingerprints of Structured Water? Feedback from Quantum-Chemical Computations”
Javier Segarra-Martí, Daniel Roca-Sanjuán, and Manuela Merchán
Entropy (2014), Vol. 16, 4101-4120
“Toward the Understanding of the Photophysics and Photochemistry of 1-Nitronaphthalene under Solar Radiation: The First Theoretical Evidence of a Photodegradation Intramolecular Rearrangement Mechanism Involving the Triplet States”
Angelo Giussani
The Journal of Chemical Theory and Computation (2014), Vol. 10, 3987-3995
“Relaxation Mechanisms of 5-Azacytosine”
Angelo Giussani, Manuela Merchán, João P. Gobbo and Antonio C. Borin
The Journal of Chemical Theory and Computation (2014), Vol. 10, 3915-3924
“A Two-scale Approach to Electron Correlation in Multiconfigurational Perturbation Theory”
Pooria Farahani, Daniel Roca-Sanjuán and Francesco Aquilante
Journal of Computational Chemistry (2014), Vol. 35, 1609-1617
Article Selected as Journal Cover
 “A Theoretical Analysis of the Intrinsic Light-Harvesting Properties of Xanthopterin”
Daniel Roca-Sanjuán, Ignacio Fdez. Galván, Angelo Giussani and Roland Lindh
Computational and Theoretical Chemistry (2014), Vol. 1040, 230-236 
“Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH· Adduct”
Antonio Francés-Monerris, Manuela Merchán and Daniel Roca-Sanjuán
Journal of Physical Chemistry B (2014), Vol. 118, 2932-2939
See correction of TOC/Abstract graphic at DOI: 10.1021/jp5031043
“On the Hexagonal Ice-like Model of Structured Water: Theoretical Analysis of the Low-lying Excited States”
Javier Segarra-Martí, Daniel Roca-Sanjuán and Manuela Merchán
Computational and Theoretical Chemistry (2014), Vol. 1040-1041, 266-273


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