| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio CI calculations on potential energy curves of low-lying states of BrF and its cation including spin–orbit coupling
|
Li, Rui
|
|
2014
|
1032 |
C |
p. 20-26
7 p.
|
artikel
|
| 2 |
Ab initio study on transition states of formohydroxamic acid tautomerization in the presence of water molecules
|
Guruge, Amali G.
|
|
2014
|
1032 |
C |
p. 50-55
6 p.
|
artikel
|
| 3 |
A comparison of the dominant pathways for the methanol dehydrogenation to CO on Pt7 and Pt7 − x Ni x (x =1, 2, 3) bimetallic clusters: A DFT study
|
Guo, Wenlong
|
|
2014
|
1032 |
C |
p. 73-83
11 p.
|
artikel
|
| 4 |
Coriolis coupling effects in exact quantum scattering study of the isotopic reaction dynamics of Ne + D 2 + / T 2 + → NeD + / NeT + + D / T
|
Wu, Dan
|
|
2014
|
1032 |
C |
p. 56-64
9 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2014
|
1032 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Interaction of third-row main group dicarbides, C2X (X=K–Br) with molecular oxygen: A density functional study
|
Parida, Saroj K.
|
|
2014
|
1032 |
C |
p. 1-6
6 p.
|
artikel
|
| 7 |
Metal counterion modulated single proton transfer process in guanine base
|
Li, Huifang
|
|
2014
|
1032 |
C |
p. 90-96
7 p.
|
artikel
|
| 8 |
Planar tetracoordinate Si and Ge in π-aromatic X 3 Cu 3 + (X=Si, Ge) cations
|
Guo, Jin-Chang
|
|
2014
|
1032 |
C |
p. 7-11
5 p.
|
artikel
|
| 9 |
P-substituted phosphine–boranes: Gas phase acidities, basicities and dihydrogen release. A comparison to amine–boranes
|
Adamson, Aiko
|
|
2014
|
1032 |
C |
p. 12-19
8 p.
|
artikel
|
| 10 |
Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide and 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide
|
Choudhary, Neetu
|
|
2014
|
1032 |
C |
p. 27-41
15 p.
|
artikel
|
| 11 |
Radical sites in humic acids: A theoretical study on protocatechuic and gallic acids
|
Šolc, Roland
|
|
2014
|
1032 |
C |
p. 42-49
8 p.
|
artikel
|
| 12 |
Theoretical study on the acidity behavior of some N-methylpyrazole derivatives: CBS-Q method and United Atom (UA) molecular cavity effect
|
Arslan, Taner
|
|
2014
|
1032 |
C |
p. 65-72
8 p.
|
artikel
|
| 13 |
Theoretical study on the reaction mechanism of CH3CH2O radical with NO
|
Liu, Yongchun
|
|
2014
|
1032 |
C |
p. 84-89
6 p.
|
artikel
|
Tijdschrift beschrijving