Approximate Radial Functions for First‐Row Transition‐Metal Atoms and Ions. I. Inner‐Shell, 3d and 4s Atomic Orbitals

1962 ◽  
Vol 36 (4) ◽  
pp. 1057-1061 ◽  
Author(s):  
James W. Richardson ◽  
W. C. Nieuwpoort ◽  
R. R. Powell ◽  
W. F. Edgell
Keyword(s):  
Transition Metal ◽  
Radial Functions ◽  
Atomic Orbitals ◽  
Metal Atoms ◽  
Transition Metal Atoms

scholarly journals Theoretical study on structures and magnetic properties of NaxV (x=1-12) atomic clusters

2015 ◽  
Vol 18 (2) ◽  
pp. 177-186
Author(s):  
Thanh Tho Bui ◽  
Khung Moc Trang ◽  
Hong Van Nguyen
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Theoretical Study ◽  
Structural Parameters ◽  
Atomic Clusters ◽  
Atomic Orbitals ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Interesting Difference ◽  
Theoretical Results

Superatoms, novel entities have been studied extensively in recent years, can be stabilized by mixing with transition metal atoms for forming atomic clusters. The aim of this contribution is to present some recent theoretical results on the application of quantum calculations for examining the structures and magnetic properties of the atomic clusters NaxV (x=1-12) made from the mixing of Nax superatoms with vanadium, a transition metal atom. Optimized structures of NaxV (x=1-12) are determined by using the TPSSTPSS/DGDZVP DFT calculations. Characteristics of optimized structures, as structural parameters, values of the magnetic moment on the atomic orbitals are determined. The obtained results point out that: (1) the Na8V cluster is the most stable in NaxV (x=1-12) atomic clusters and (2) the value of themagnetic moment of Na8V cluster is mainly influenced by the orbital magnetic momentof the atom V and this is an interesting difference from other remaining NaxV(x≠8) clusters

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.

scholarly journals Suppression of Angular Forces in Collisions of Non-S-State Transition Metal Atoms

2005 ◽  
Vol 94 (1) ◽  
Author(s):  
R. V. Krems ◽  
J. Kłos ◽  
M. F. Rode ◽  
M. M. Szczȩśniak ◽  
G. Chałasiński ◽  
...  
Keyword(s):  
Transition Metal ◽  
State Transition ◽  
Metal Atoms ◽  
Transition Metal Atoms
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