Double icosahedron-based motif of Ni<sub> n</sub> ( n = 20−30).
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1717, doi. 10.1002/qua.23161
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2012 AND VI 112 AND IP 6
Results: 22
1
2
Wigner crystallization of quadratically dispersing electrons in graphene.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1725, doi. 10.1002/qua.23172
- By:
- Publication type:
- Article
3
An experimental and theoretical approach to the molecular structure of 3-{[4-(3-Methyl-3-phenyl-cyclobutyl)-thiazol-2-yl]-hydrazono}-1,3-dihydro- indol-2-one.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1566, doi. 10.1002/qua.23136
- By:
- Publication type:
- Article
4
Gauge function optimization 2: An accurately solvable model.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1620, doi. 10.1002/qua.23176
- By:
- Publication type:
- Article
5
Theoretical study on the ion-molecule reaction of NH<sup>+</sup> with CH<sub>2</sub>O.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1654, doi. 10.1002/qua.23044
- By:
- Publication type:
- Article
6
A new estimate on the indirect Coulomb energy.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1579, doi. 10.1002/qua.23148
- By:
- Publication type:
- Article
7
A constrained variational approach to the designing of low transport band gap materials: A multiobjective random mutation hill climbing method.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1547, doi. 10.1002/qua.23119
- By:
- Publication type:
- Article
8
Erratum: Interaction of Atoms With Graphenic-Type Surfaces for the Chemistry of the Interstellar Medium: New Properties of H Dimers on the Surface.
- Published in:
- 2012
- By:
- Publication type:
- Erratum
9
A DFT study on the structure-property relationship of aminonitropyrazole-2-oxides.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1667, doi. 10.1002/qua.23150
- By:
- Publication type:
- Article
10
New analytical expressions, symmetry relations and numerical solutions for the rotational overlap integrals.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1585, doi. 10.1002/qua.23158
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- Publication type:
- Article
11
Delocalization errors in a hubbard-like model: Consequences for density-functional tight-binding calculations of molecular systems.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1701, doi. 10.1002/qua.23178
- By:
- Publication type:
- Article
12
Off-center shallow donors in a spherical Si quantum dot with dielectric border.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1737, doi. 10.1002/qua.23179
- By:
- Publication type:
- Article
13
Theoretical thermochemistry: Enthalpies of formation of a set of nitrogen-containing compounds.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1688, doi. 10.1002/qua.23163
- By:
- Publication type:
- Article
14
Wiener indices of trees and monocyclic graphs with given bipartition.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1598, doi. 10.1002/qua.23167
- By:
- Publication type:
- Article
15
A CASSCF/CASPT2 study on the low-lying electronic states of the CH<sub>3</sub>SS and its cation.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1537, doi. 10.1002/qua.23102
- By:
- Publication type:
- Article
16
New graphical representation of a DNA sequence based on the ordered dinucleotides and its application to sequence analysis.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1746, doi. 10.1002/qua.23157
- By:
- Publication type:
- Article
17
Use of noninteger n-generalized exponential type orbitals with hyperbolic cosine in atomic calculations.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1559, doi. 10.1002/qua.23133
- By:
- Publication type:
- Article
18
On the importance of orbital localization in QC-DMRG calculations.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1606, doi. 10.1002/qua.23173
- By:
- Publication type:
- Article
19
Leading-order behavior of the correlation energy in the uniform electron gas.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1712, doi. 10.1002/qua.23155
- By:
- Publication type:
- Article
20
N-arylamides and N-arylcarbamates NCO internal rotation barrier study by molecular modeling.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1678, doi. 10.1002/qua.23151
- By:
- Publication type:
- Article
21
Density functional theory studies on structures and absorption spectra of [Au(tpy)Cl]<sup>2+</sup> and its derivatives: Role of basis set, functional, solvent effect, and spin orbit effect.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1642, doi. 10.1002/qua.22984
- By:
- Publication type:
- Article
22
Exact S-wave solution of the trigonometric pöschl-teller potential.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1592, doi. 10.1002/qua.23166
- By:
- Publication type:
- Article