The well‐tempered GTF basis sets in calculations on the s2d n, s1d n+1, and d n+2 configurations of the first‐ and second‐row transition metal atoms

1986 ◽  
Vol 84 (1) ◽  
pp. 323-325 ◽  
Author(s):  
M. Klobukowski ◽  
S. Huzinaga
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Atoms ◽  
Transition Metal Atoms

All-Electron Scalar Relativistic Basis Sets for Third-Row Transition Metal Atoms

2008 ◽  
Vol 4 (6) ◽  
pp. 908-919 ◽  
Author(s):  
Dimitrios A. Pantazis ◽  
Xian-Yang Chen ◽  
Clark R. Landis ◽  
Frank Neese
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Relativistic Basis Sets

New Relativistic ANO Basis Sets for Transition Metal Atoms

2005 ◽  
Vol 109 (29) ◽  
pp. 6575-6579 ◽  
Author(s):  
Björn O. Roos ◽  
Roland Lindh ◽  
Per-Åke Malmqvist ◽  
Valera Veryazov ◽  
Per-Olof Widmark
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Atoms ◽  
Transition Metal Atoms

Valence and correlating basis sets for the second transition-metal atoms from Y to Cd

2003 ◽  
Vol 101 (1-2) ◽  
pp. 65-71 ◽  
Author(s):  
YOU OSANAI ◽  
MASAHIRO SEKIYA ◽  
TAKESHI NORO ◽  
TOSHIKATSU KOGA
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Metal Atoms ◽  
Transition Metal Atoms

Gaussian-Orbital Basis Sets for the First-Row Transition-Metal Atoms

1969 ◽  
Vol 51 (4) ◽  
pp. 1311-1318 ◽  
Author(s):  
Harold Basch ◽  
C. J. Hornback ◽  
J. W. Moskowitz
Keyword(s):  
Transition Metal ◽  
Basis Sets ◽  
Orbital Basis ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Gaussian Orbital

Laser Desorption/Ionization of Transition Metal Atoms and Oxides from Solid Argon

2000 ◽  
Vol 104 (35) ◽  
pp. 8173-8177 ◽  
Author(s):  
Lester Andrews ◽  
Andreas Rohrbacher ◽  
Christopher M. Laperle ◽  
Robert E. Continetti
Keyword(s):  
Transition Metal ◽  
Laser Desorption ◽  
Laser Desorption Ionization ◽  
Desorption Ionization ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Solid Argon

Interaction of cyclosporin A molecules with alkali and transition metal atoms on Cu(111)

2021 ◽  
Vol 57 (23) ◽  
pp. 2923-2926
Author(s):  
Yuanyuan Guo ◽  
Li Jiang ◽  
Ari Paavo Seitsonen ◽  
Bodong Zhang ◽  
Joachim Reichert ◽  
...  
Keyword(s):  
Transition Metal ◽  
Cyclosporin A ◽  
Surface Complexation ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Natural Peptide

Discriminatory on-surface complexation by the natural peptide CsA: up to two K atoms within its macrocycle, Co to residue 9 and the macrocycle, Fe non-selectively.

Sign in / Sign up

Export Citation Format

Share Document