화학공학소재연구정보센터
검색결과 : 70건
No. Article
1 Negative Electron Affinities and Derivative Discontinuity Contribution from a Generalized Gradient Approximation Exchange Functional
Carmona-Espindola J, Gazquez JL, Vela A, Trickey SB
Journal of Physical Chemistry A, 124(7), 1334, 2020
2 Temperature-Dependent Approach to Electronic Charge Transfer
Franco-Perez M, Gazquez JL, Ayers PW, Vela A
Journal of Physical Chemistry A, 124(26), 5465, 2020
3 New coloured coatings to enhance silica sand absorbance for direct particle solar receiver applications
Gimeno-Furio A, Hernandez L, Martinez-Cuenca R, Mondragon R, Vela A, Cabedo L, Barreneche C, Iacob M
Renewable Energy, 152, 1, 2020
4 Delaying the Decay of a Superposition of Resonance States
Garcia-Vela A
Journal of Physical Chemistry A, 123(34), 7394, 2019
5 Trajectory surface hopping study of the photodissociation dynamics of methyl radical from the 3s and 3p(z) Rydberg states
Rodriguez-Fernandez A, Marquez-Mijares M, Rubayo-Soneira J, Zanchet A, Garcia-Vela A, Banares L
Chemical Physics Letters, 712, 171, 2018
6 Role of Reaction Conditions in the Global and Local Two Parabolas Charge Transfer Model
Orozco-Valencia U, Gazquez JL, Vela A
Journal of Physical Chemistry A, 122(6), 1796, 2018
7 Global and Local Partitioning of the Charge Transferred in the Parr-Pearson Model
Orozco-Valencia AU, Gazquez JL, Vela A
Journal of Physical Chemistry A, 121(20), 4019, 2017
8 A PW91-like exchange with a simple analytical form
Pacheco-Kato JC, del Campo JM, Gazquez JL, Trickey SB, Vela A
Chemical Physics Letters, 651, 268, 2016
9 Temperature effects in static and dynamic polarizabilities from distinct generalized gradient approximation exchange-correlation functionals
Carmona-Espindola J, Gazquez JL, Vela A, Trickey SB
Chemical Physics Letters, 664, 77, 2016
10 Spectroscopic and Theoretical Study of Cu-I Binding to His111 in the Human Prion Protein Fragment 106-115
Arcos-Lopez T, Qayyum M, Rivillas-Acevedo L, Miotto MC, Grande-Aztatzi R, Fernandez CO, Hedman B, Hodgson KO, Vela A, Solomon EI, Quintanar L
Inorganic Chemistry, 55(6), 2909, 2016