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L. C. Balbás

Universidad de Valladolid

H指数:30

被引数:3,385

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Sequential adsorption of multiple CO molecules on Au10- and Au9Zn- triangular clusters: the crucial role of a single atomic impurity

多个CO分子在Au10-和Au9Zn-三角簇上的顺序吸附：单个原子杂质的关键作用

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

IF2.9

2025-01-010

PRE

Interactions of nitric oxide molecules with pure and oxidized silver clusters Agn±/AgnO± (n=11-13): A computational study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-08-184

PRE

Hydrogen Chemisorption on Singly Vanadium-Doped Aluminum Clusters

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2017-10-1325

OAAI

New structural and electronic properties of (TiO2)10

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-2013

PREAI

Multiple adsorption of molecular oxygen on small Au/Pd cationic clusters at finite temperature. A van der Waals density functional study

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2016-06-133

PREAI

Structural, Vibrational, and Magnetic Properties of FeCoOn0/+ (n=1-6) Bimetallic Oxide Clusters

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-02-058

PREAI

Titanium embedded cage structure formation in AlnTi+ clusters and their interaction with Ar

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2014-05-061

PREAI

Theoretical study of AlnV+ clusters and their interaction with Ar

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-12-036

PREAI

Al enhances the H2 storage capacity of graphene at nanoribbon borders but not at central sites: A study using nonlocal van der Waals density functionals

PHYSICAL REVIEW B

IF3.7

2012-03-2727

PREAI

Structural and zero-point vibrational effects on the electric dipole moments and static dipole polarizabilities of sodium clusters

PHYSICAL REVIEW B

IF3.7

2011-10-2526

PREAI

First-principles calculations of structural and electronic properties of Ta-doped Si clusters, wires, and bulk systems

PHYSICAL REVIEW B

IF3.7

2011-02-2827

PREAI

Study of the Structural and Electronic Properties of [Ti@Si16]n, [Sc@Si16K]n, and [V@Si16F]n (n ≤ 9) Aggregates from First Principles

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2010-12-2331

PREAI

Theoretical study of isoelectronic SinM clusters (M=Sc-,Ti,V+; n=14-18)

PHYSICAL REVIEW B

IF3.7

2007-05-1698

OA

Ab initio calculations of H2O and O2 adsorption on Al2O3 substrates

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2007-05-0153

PREAI

Planar and cagelike structures of gold clusters:: Density-functional pseudopotential calculations

PHYSICAL REVIEW B

IF3.7

2006-06-28114

OAAI

Theoretical study of structural, electronic, and magnetic properties of AunM+ clusters (M=Sc, Ti, V, Cr, Mn, Fe, Au; n≤9) -: art. no. 155412

PHYSICAL REVIEW B

IF3.7

2005-04-21115

PREAI

Trends in the structure and bonding of noble metal clusters -: art. no. 165403

PHYSICAL REVIEW B

IF3.7

2004-10-11552

PREAI

Evaluation of exchange-correlation energy, potential, and stress -: art. no. 165110

PHYSICAL REVIEW B

IF3.7

2001-10-0432

OAAI

All-electron and pseudopotential study of the spin-polarization of the V(001) surface:: LDA versus GGA -: art. no. 172406

PHYSICAL REVIEW B

IF3.7

2001-04-0331

OAAI

Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems

PHYSICAL REVIEW B

IF3.7

2000-05-15101

PREAI