| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Computational note on the thermodynamic properties of methylchlorodisilane compounds
|
Liu, Hui
|
|
2011
|
973 |
1-3 |
p. 76-77
2 p.
|
artikel
|
| 2 |
Density functional theoretical studies of the isomers of croconic acid and their dimers
|
Ramachandran, C.N.
|
|
2011
|
973 |
1-3 |
p. 28-32
5 p.
|
artikel
|
| 3 |
Density functional theory calculations of iodine cluster anions: Structures, chemical bonding nature, and vibrational spectra
|
Otsuka, Miho
|
|
2011
|
973 |
1-3 |
p. 69-75
7 p.
|
artikel
|
| 4 |
DFT/TDDFT theoretical studies on electronic structures and spectral properties of rhenium(I) phenanthrolineimidazo complexes
|
Zhao, Feng
|
|
2011
|
973 |
1-3 |
p. 40-46
7 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2011
|
973 |
1-3 |
p. i-
1 p.
|
artikel
|
| 6 |
Electronic structure, electric moments and vibrational analysis of 5-nitro-2-furaldehyde semicarbazone: A D.F.T. study
|
Narayan, Vijay
|
|
2011
|
973 |
1-3 |
p. 20-27
8 p.
|
artikel
|
| 7 |
QTAIMC study of the X–H/H⋯O bond order indices (X=O, N, C) in molecular systems
|
Bartashevich, E.V.
|
|
2011
|
973 |
1-3 |
p. 33-39
7 p.
|
artikel
|
| 8 |
Structure and bonding analysis of dihalogallyl and dimethylgallyl complexes of molybdenum and tungsten [(η5-C5H5)(CO)3M(GaX2)] (M=Mo, W; X=Cl, Br, I, Me): A theoretical study
|
Pandey, Krishna K.
|
|
2011
|
973 |
1-3 |
p. 13-19
7 p.
|
artikel
|
| 9 |
Structures of protonated benzene dimer and intermolecular interaction decomposition via symmetry-adapted perturbation theory
|
Jaeger, Heather M.
|
|
2011
|
973 |
1-3 |
p. 47-52
6 p.
|
artikel
|
| 10 |
Superhalogen plus anion KF 3 - : A recently discovered anion with the formula MX k + 2 -
|
Lo, Seydina
|
|
2011
|
973 |
1-3 |
p. 9-12
4 p.
|
artikel
|
| 11 |
Theoretical studies of the formation of quaternary ammonium mesylates
|
Nowacki, Andrzej
|
|
2011
|
973 |
1-3 |
p. 53-61
9 p.
|
artikel
|
| 12 |
Theoretical study on chiral recognition mechanism of ethyl-3-hydroxybutyrate with permethylated β-cyclodextrin
|
Shi, Jie-hua
|
|
2011
|
973 |
1-3 |
p. 62-68
7 p.
|
artikel
|
| 13 |
The Trp-cage miniprotein with single-site mutations: Studies of stability and dynamics using molecular dynamics
|
Wu, Xiaomin
|
|
2011
|
973 |
1-3 |
p. 1-8
8 p.
|
artikel
|
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