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1 . Academic Journal
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab Initio Molecular Dynamics.
저자
by
Garrote-Márquez, Alejandro
;
Lodeiro, Lucas
;
Suresh, Rahul
;
Cruz Hernández, Norge
;
Grau-Crespo, Ricardo
, et al.
소스
Journal of Physical Chemistry C; 8/17/2023, Vol. 127 Issue 32, p15901-15910, 10p
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7 . Periodical
Hydrogen Bonds in Lead Halide Perovskites: Insights from Ab InitioMolecular Dynamics
저자
by
Garrote-Márquez, Alejandro
;
Lodeiro, Lucas
;
Suresh, Rahul
;
Cruz Hernández, Norge
;
Grau-Crespo, Ricardo
, et al.
소스
The Journal of Physical Chemistry - Part C; August 2023, Vol. 127 Issue: 32 p15901-15910, 10p
Full Text (ACS)
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7 . Academic Journal
First principles simulations of Cu and Au deposition on α-Al2O3 (0 0 0 1) surface
저자
by
Cruz Hernández, Norge
;
Sanz, Javier Fdez.
.
소스
In
Applied Surface Science
15 November 2004 238(1-4):228-232
Full Text (ScienceDirect)
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4 . Academic Journal
Relaxation of the [formula omitted] surface in binary Sc, Ti and V nitrides: a first principles density functional study
저자
by
Cruz Hernández, Norge
;
Graciani, Jesús
;
Sanz, Javier Fdez.
.
소스
In
Surface Science
2003 541(1):217-224
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5 . Academic Journal
Theoretical Approach to Ionic Conductivity in PhosphorusOxynitride Compounds
저자
by
Rabaâ, Hassan
;
Hoffmann, Roald
;
Cruz Hernández, Norge
;
Fernandez Sanz, Javier
.
소스
In
Journal of Solid State Chemistry
October 2001 161(1):73-79
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6 . Academic Journal
Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations.
저자
by
Sánchez-de-Armas, Rocío
;
Cruz Hernández, Norge
;
Calzado, Carmen J.
.
소스
Inorganic Chemistry Frontiers; May2019, Vol. 6 Issue 5, p1228-1237, 10p
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5 . Academic Journal
Light‐Induced Spin Transitions in Copper‐Nitroxide‐Based Switchable Molecular Magnets: Insights from Periodic DFT+U Calculations.
저자
by
Sánchez‐de‐Armas, Rocío
;
Cruz Hernández, Norge
;
Calzado, Carmen J.
.
소스
Chemistry - A European Journal
. 12/17/2018, Vol. 24 Issue 71, p18988-18997. 10p.
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5 . Academic Journal
A DFT-based simulated annealing method for the optimization of global energy in zeolite framework systems: Application to natrolite, chabazite and clinoptilolite
저자
by
Abatal, Mohamed
;
Rabdel Ruiz-Salvador, A.
;
Cruz Hernandez, Norge
.
소스
MICROPOROUS AND MESOPOROUS MATERIALS
; MAR 1 2020, 294 p109885 8p.
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5 . Academic Journal
New insights into organic–inorganic hybrid perovskite CH
3
NH
3
PbI
3
nanoparticles. An experimental and theoretical study of doping in Pb
2+
sites with Sn
2+
, Sr
2+
, Cd
2+
and Ca
2+
저자
by
Navas, Javier
;
Sánchez-Coronilla, Antonio
;
Gallardo, Juan Jesás
;
Cruz Hernández, Norge
;
Piñero, Jose Carlos
, et al.
소스
Nanoscale; 4/14/2015, Vol. 7 Issue 14, p6216-6229, 14p
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7 . Academic Journal
Electronic and Structural Properties of Highly Aluminum Ion Doped TiO
2
Nanoparticles: A Combined Experimental and Theoretical Study.
저자
by
de los Santos, Desireé M.
;
Aguilar, Teresa
;
Sánchez‐Coronilla, Antonio
;
Navas, Javier
;
Cruz Hernández, Norge
, et al.
소스
ChemPhysChem; Aug2014, Vol. 15 Issue 11, p2267-2280, 14p
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