검색결과 : 29건
| No. | Article |
|---|---|
| 1 |
Catalytic activity trends from pure Pd nanoclusters to M@PdPt (M = Co, Ni, and Cu) core-shell nanoclusters for the oxygen reduction reaction: A first-principles analysis Cruz-Martinez H, Tellez-Cruz MM, Solorza-Feria O, Calaminici P, Medina DI International Journal of Hydrogen Energy, 45(26), 13738, 2020 |
| 2 |
NiPdPt trimetallic nanoparticles as efficient electrocatalysts towards the oxygen reduction reaction Cruz-Martinez H, Tellez-Cruz MM, Rojas-Chavez H, Ramirez-Herrera CA, Calaminici P, Solorza-Feria O International Journal of Hydrogen Energy, 44(24), 12463, 2019 |
| 3 |
Hybrid ADFT Study of the C-104 and C-106 IPR Isomers Perez-Figueroa SE, Calaminici P, Koster AM Journal of Physical Chemistry A, 123(21), 4565, 2019 |
| 4 |
First-principles investigation of adsorption and dissociation of molecular oxygen on pure Pd, Ni-doped Pd and NiPd alloy clusters Cruz-Martinez H, Lopez-Soso L, Solorza-Feria O, Calaminici P International Journal of Hydrogen Energy, 42(51), 30310, 2017 |
| 5 |
Evolution of the Spin Magnetic Moments and Atomic Valence of Vanadium in VCux+, VAgx+, and VAux+ Clusters (x=3-14) Blades WH, Reber AC, Khanna SN, Lopez-Sosa L, Calaminici P, Koster AM Journal of Physical Chemistry A, 121(15), 2990, 2017 |
| 6 |
Electrocatalysis of oxygen reduction on CoNi-decorated-Pt nanoparticles: A theoretical and experimental study Flores-Rojas E, Cruz-Martinez H, Tellez-Cruz MM, Perez-Robles JF, Leyva-Ramirez MA, Calaminici P, Solorza-Feria O International Journal of Hydrogen Energy, 41(48), 23301, 2016 |
| 7 |
Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P Chemical Physics Letters, 635, 168, 2015 |
| 8 |
Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015) Karne AS, Vaval N, Pal S, Vasquez-Perez JM, Koster AM, Calaminici P Chemical Physics Letters, 636, 228, 2015 |
| 9 |
Efficient Calculation of the Rotational g Tensor from Auxiliary Density Functional Theory Zuniga-Gutierrez B, Camacho-Gonzalez M, Simon-Bastida P, Bendana-Castillo A, Calaminici P, Koster AM Journal of Physical Chemistry A, 119(9), 1469, 2015 |
| 10 |
Transition-State Searches in Metal Clusters by First-Principle Methods Cruz-Olvera D, Vasquez AD, Geudtner G, Vasquez-Perez JM, Calaminici P, Koster AM Journal of Physical Chemistry A, 119(9), 1494, 2015 |