| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio studies of the structure, physicochemical properties and behavior of lead chlorides and chloroplumbate anions in gaseous and aqueous phases
|
Freza, Sylwia
|
|
2013
|
1004 |
C |
p. 61-68
8 p.
|
artikel
|
| 2 |
Comparative theoretical study of the geometric and electronic structures of potassium and silver salts of nitroform
|
Huang, Huisheng
|
|
2013
|
1004 |
C |
p. 1-4
4 p.
|
artikel
|
| 3 |
Computational probing of all-boron Li2 n B2 n H2 n +2 polyenes
|
Popov, Ivan A.
|
|
2013
|
1004 |
C |
p. 5-11
7 p.
|
artikel
|
| 4 |
Computational study of the intramolecular proton transfer reactions of dipicolinic acid (pyridine-2,6-dicarboxylic acid) and its dimers
|
Kazemi, Seyed Hasan
|
|
2013
|
1004 |
C |
p. 69-75
7 p.
|
artikel
|
| 5 |
DFT study on reaction mechanisms of propylamine and dimethyl acetylenedicarboxylate with 1,3-dimethylalloxan
|
Zhu, Yanyan
|
|
2013
|
1004 |
C |
p. 47-55
9 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2013
|
1004 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
Origin of site preference of CO and NO adsorption on Pd(111) at different coverages: A density functional theory study
|
Fan, Chen
|
|
2013
|
1004 |
C |
p. 22-30
9 p.
|
artikel
|
| 8 |
Quantum chemical investigation on the structural and electronic properties of zinc–salphen complex: DFT and QTAIM analysis
|
Hosseinnejad, Tayebeh
|
|
2013
|
1004 |
C |
p. 31-37
7 p.
|
artikel
|
| 9 |
Spin–orbit coupling effects in the ground state and four low-lying excited valence states a1Δ, B3Σ−, 13Δ and 13Σ+ of SeS molecule
|
Zhu, Zunlue
|
|
2013
|
1004 |
C |
p. 38-46
9 p.
|
artikel
|
| 10 |
Structures and stabilities of GaC n (n =1–10) clusters
|
Zhang, Chen-Jun
|
|
2013
|
1004 |
C |
p. 12-17
6 p.
|
artikel
|
| 11 |
The study of performance of DFT functional for van der Waals interactions
|
Kolandaivel, P.
|
|
2013
|
1004 |
C |
p. 56-60
5 p.
|
artikel
|
| 12 |
Time and intensity dependence of total ionization of helium studied with the multi-configuration time-dependent Hartree–Fock method
|
Li, Wenliang
|
|
2013
|
1004 |
C |
p. 18-21
4 p.
|
artikel
|
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