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Volume 309; Issue 1
Main
Chemical Physics
Volume 309; Issue 1
Chemical Physics
Volume 309; Issue 1
1
Formation of Pd dimers at regular and defect sites of the MgO(1 0 0) surface: cluster model calculations
Livia Giordano
,
Cristiana Di Valentin
,
Gianfranco Pacchioni
,
Jacek Goniakowski
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 1015 KB
Your tags:
english, 2005
2
Self-interaction effects in (Ga,Mn)As and (Ga,Mn)N
Alessio Filippetti
,
Nicola A. Spaldin
,
Stefano Sanvito
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 1.47 MB
Your tags:
english, 2005
3
Comparative theoretical study of the structure and bonding of propyne on the Pt(1 1 1) and Pd(1 1 1) surfaces
Ana Valcárcel
,
Anna Clotet
,
Josep M. Ricart
,
Francesc Illas
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 336 KB
Your tags:
english, 2005
4
Impurity and vacancy clustering at the Σ3(1 1 1)[1 −1 0] grain boundary in strontium titanate
S. Gemming
,
M. Schreiber
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 349 KB
Your tags:
english, 2005
5
Interaction of –CClx (x=1–3) with Ru2 and RuSn dimers: a density functional study
Helena Duani
,
Hélio A. Duarte
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 286 KB
Your tags:
english, 2005
6
Density functional based calculations for Fen (n⩽32)
Christof Köhler
,
Gotthard Seifert
,
Thomas Frauenheim
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 466 KB
Your tags:
english, 2005
7
Core excitations in MgO: a DFT study with cluster models
M. Stener
,
G. Fronzoni
,
R. De Francesco
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 454 KB
Your tags:
english, 2005
8
Electronic and optical properties of functionalized carbon chains with the localized Hartree–Fock and conventional Kohn–Sham methods
Martin Weimer
,
Wolfgang Hieringer
,
Fabio Della Sala
,
Andreas Görling
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 286 KB
Your tags:
english, 2005
9
Basis set limitations on the ab initio calculation of stopping cross-sections via generalized oscillator strengths
J.A. Nobel
,
S.B. Trickey
,
John R. Sabin
,
Jens Oddershede
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 192 KB
Your tags:
english, 2005
10
Self-interaction error in density functional theory: a mean-field correction for molecules and large systems
Ilaria Ciofini
,
Carlo Adamo
,
Henry Chermette
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 325 KB
Your tags:
english, 2005
11
Preface
S.B. Trickey
,
S. Gemming
,
E.J. Baerends
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 225 KB
Your tags:
english, 2005
12
Editorial board
Journal:
Chemical Physics
Year:
2005
Language:
english
File:
PDF, 67 KB
Your tags:
english, 2005
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