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Illas

Showing results (61-70 of 292) with videos related to

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Physical Review Letters|October 4, 2000
Accurate prediction of large antiferromagnetic interactions in high- T(c) HgBa2Ca(n-1)Cu(n)O(2n+2+delta) ( n = 2,3) superconductor parent compoundsMunoz, Illas, de P R Moreira I
Physical Review Letters|September 28, 2010
Prospective role of multicenter bonding for efficient and selective hydrogen transportDaniele Stradi, Francesc Illas, Stefan T Bromley
Molecular Pharmacology|October 1, 1987
On the mechanism of histamine H2 receptor activationF J Luque, F Illas, R Pouplana
Journal of Chemical Theory and Computation|August 2, 2019
Electronic Properties of Realistic Anatase TiO<sub>2</sub> Nanoparticles from <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on a Gaussian and Plane Waves SchemeÁngel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 21, 2020
Investigating the character of excited states in TiO<sub>2</sub> nanoparticles from topological descriptors: implications for photocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
Chemical Science|April 3, 2023
A general but still unknown characteristic of active oxygen evolution electrocatalystsEleonora Romeo, Francesc Illas, Federico Calle-Vallejo
Angewandte Chemie (International Ed. in English)|August 9, 2007
On the mechanism of formation of metal nanowires by self-assemblyFrancesc Viñes, Francesc Illas, Konstantin M Neyman
Journal of Chemical Theory and Computation|November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional TheoryRosendo Valero, Francesc Illas, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|July 5, 2018
Reliable and computationally affordable prediction of the energy gap of (TiO<sub>2</sub>)<sub>n</sub> (10 ≤ n ≤ 563) nanoparticles from density functional theoryÁngel Morales-García, Rosendo Valero, Francesc Illas
Progress in Clinical and Biological Research|January 1, 1989
Structure-activity relationships of H2-receptor histamine antagonists based on quantum chemical methodsF J Luque, F Illas, R Pouplana
Pageof 30

Showing results (61-70 of 292) with videos related to

Sort By:
Pageof 30
Physical Review Letters|October 4, 2000
Accurate prediction of large antiferromagnetic interactions in high- T(c) HgBa2Ca(n-1)Cu(n)O(2n+2+delta) ( n = 2,3) superconductor parent compoundsMunoz, Illas, de P R Moreira I
Physical Review Letters|September 28, 2010
Prospective role of multicenter bonding for efficient and selective hydrogen transportDaniele Stradi, Francesc Illas, Stefan T Bromley
Molecular Pharmacology|October 1, 1987
On the mechanism of histamine H2 receptor activationF J Luque, F Illas, R Pouplana
Journal of Chemical Theory and Computation|August 2, 2019
Electronic Properties of Realistic Anatase TiO<sub>2</sub> Nanoparticles from <i>G</i><sub>0</sub><i>W</i><sub>0</sub> Calculations on a Gaussian and Plane Waves SchemeÁngel Morales-García, Rosendo Valero, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 21, 2020
Investigating the character of excited states in TiO<sub>2</sub> nanoparticles from topological descriptors: implications for photocatalysisRosendo Valero, Ángel Morales-García, Francesc Illas
Chemical Science|April 3, 2023
A general but still unknown characteristic of active oxygen evolution electrocatalystsEleonora Romeo, Francesc Illas, Federico Calle-Vallejo
Angewandte Chemie (International Ed. in English)|August 9, 2007
On the mechanism of formation of metal nanowires by self-assemblyFrancesc Viñes, Francesc Illas, Konstantin M Neyman
Journal of Chemical Theory and Computation|November 25, 2015
Magnetic Coupling in Transition-Metal Binuclear Complexes by Spin-Flip Time-Dependent Density Functional TheoryRosendo Valero, Francesc Illas, Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP|July 5, 2018
Reliable and computationally affordable prediction of the energy gap of (TiO<sub>2</sub>)<sub>n</sub> (10 ≤ n ≤ 563) nanoparticles from density functional theoryÁngel Morales-García, Rosendo Valero, Francesc Illas
Progress in Clinical and Biological Research|January 1, 1989
Structure-activity relationships of H2-receptor histamine antagonists based on quantum chemical methodsF J Luque, F Illas, R Pouplana
Pageof 30