Language
English
German
^M
Dutch
Spanish
Title:
A set of f-polarization functions for pseudo-potential basis sets of the transition metals ScCu, YAg and LaAu
Source:
Chemical Physics Letters [0009-2614] Ehlers, A W yr:1993
Basic
Full text
Full text available via
Elsevier SD Backfile Physical and Analytical Chemistry
Year:
Volume:
Issue:
Start Page:
Full text available via
Elsevier SD Backfile Physics
Year:
Volume:
Issue:
Start Page:
Full text available via
EZB-NALI5-00465 Elsevier Archive NL
Year:
Volume:
Issue:
Start Page:
Document delivery
Request document via
Library/Bibliothek
Users interested in this article also expressed an interest in the following:
description
1.
Figgen, D.
"Energy-consistent pseudopotentials and correlation consistent basis sets for the 5d elements Hf-Pt."
The Journal of chemical physics
130.16 (2009): 164108-.
description
2.
Zhao, Yan n.
"The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other function."
Theoretical chemistry accounts
120.1 (2008): 215-241.
description
3.
Roos, Bjrn O.
"New relativistic ANO basis sets for transition metal atoms."
The journal of physical chemistry. A
109.29 (2005): 6575-6579.
description
4.
Zhao, Y.
"Density Functionals with Broad Applicability in Chemistry."
Accounts of chemical research
41.2 (2008): 157-167.
description
5.
Zhao, Y.
"A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions."
The Journal of chemical physics
125.19 (2006): 194101-194101.
description
6.
Zhao, Y.
"Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound."
The Journal of chemical physics
128.18 (2008): 184109-184109.
description
7.
Chai, J.
"Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections."
Physical chemistry chemical physics
10.44 (2008): 6615-6620.
description
8.
Roos, BO.
"Main group atoms and dimers studied with a new relativistic ANO basis set."
The journal of physical chemistry. A
108.15 (2004): 2851-2858.
description
9.
Schultz, Nathan E.
"Databases for transition element bonding: Metal-metal bond energies and bond lengths and their use to test hybrid, hybrid meta, and meta density functionals and generalized gradient approximations."
The journal of physical chemistry. A
109.19 (2005): 4388-4403.
description
10.
Ilias, M.
"Theoretical study of PbO and the PbO anion."
Chemical Physics Letters
408.4-6 (2005): 210-215.
description
11.
Forsberg, N.
"Multiconfiguration perturbation theory with imaginary level shift."
Chemical Physics Letters
274.1-3 (1997): 196-204.
description
12.
Roos, Bjrn O.
"Relativistic quantum chemistry: the multiconfigurational approach."
Physical chemistry chemical physics
6.11 (2004): 2919-2927.
description
13.
Balabanov, N.B. B.
"Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods."
The Journal of chemical physics
125.7 (2006): 74110-74110.
View More...
View Less...
Select All
Clear All
Save Citations
Select Format
ProCite
Reference Manager
RefWorks
EndNote
Submit citation export
Advanced
Author
Other articles by this author? -- in
GeoRef
author:
Ehlers, A W
Böhme, M
Dapprich, S
Gobbi, A
Höllwarth, A
Jonas, V
Köhler, K F
Stegmann, R
Veldkamp, A
Frenking, G
last name
initials
Other articles by this author? -- in
Online Contents Geosciences
author:
Ehlers, A W
Böhme, M
Dapprich, S
Gobbi, A
Höllwarth, A
Jonas, V
Köhler, K F
Stegmann, R
Veldkamp, A
Frenking, G
last name
initials
Other articles by this author? -- using
Web of Science
author:
Ehlers, A W
Böhme, M
Dapprich, S
Gobbi, A
Höllwarth, A
Jonas, V
Köhler, K F
Stegmann, R
Veldkamp, A
Frenking, G
last name
initials
Web Search
Find related information in
a Web Search Engine
Excite
Google
HotBot
Ixquick
ZOO
Ask
Yahoo!
Bing
Naver
Search Terms:
Search for related information in
Google Scholar
Article Title
Author Name
Journal Title
Other Search
Search Terms:
A service provided by the
Library of the Wissenschaftspark Albert Einstein
, Potsdam, Germany.
© 2005 SFX by Ex Libris Inc.