| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
AlgoGen: A tool coupling a linear-scaling quantum method with a genetic algorithm for exploring non-covalent interactions
|
Barberot, C.
|
|
2014
|
1028 |
C |
p. 7-18
12 p.
|
artikel
|
| 2 |
A software tool for visualization of molecular face (VMF) by improving marching cubes algorithm
|
Ma, Li
|
|
2014
|
1028 |
C |
p. 34-45
12 p.
|
artikel
|
| 3 |
A theoretical study on the competing mechanisms and regioselectivity of the intermolecular radical anion [2+2] cycloadditions of phenyl vinyl sulfone with enones
|
Guo, Chenchen
|
|
2014
|
1028 |
C |
p. 27-33
7 p.
|
artikel
|
| 4 |
Computer-aided design of host molecules for recognition of organic guests
|
Hay, Benjamin P.
|
|
2014
|
1028 |
C |
p. 72-80
9 p.
|
artikel
|
| 5 |
DFT study on the ground state and excited state intramolecular proton transfer of propargyl arm containing Schiff bases in solution and gas phases
|
Annaraj, B.
|
|
2014
|
1028 |
C |
p. 19-26
8 p.
|
artikel
|
| 6 |
Dispersion interactions with density functional theory: Bonding description of V–NS bond in vanadium–thionitrosyl complex [(nacnac)(OAr)V(NS)]
|
Pandey, Krishna K.
|
|
2014
|
1028 |
C |
p. 1-6
6 p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2014
|
1028 |
C |
p. IFC-
1 p.
|
artikel
|
| 8 |
Editorial note
|
Thakkar, Ajit J.
|
|
2014
|
1028 |
C |
p. v-
1 p.
|
artikel
|
| 9 |
Geometric evolution, stability trend and electronic properties of rhenium-doped gold clusters
|
Sui, Jian
|
|
2014
|
1028 |
C |
p. 98-105
8 p.
|
artikel
|
| 10 |
Interaction of caffeine dimers with water molecules
|
Senthilnithy, R.
|
|
2014
|
1028 |
C |
p. 60-64
5 p.
|
artikel
|
| 11 |
Luminol: Extended hydrogen bond network in water solution
|
Xue, Bingchun
|
|
2014
|
1028 |
C |
p. 81-86
6 p.
|
artikel
|
| 12 |
Noble gas matrix effects on the symmetric stretching transition structure of the XNgY noble gas molecules: Theoretical understanding the noble gas matrix stabilizing effects
|
Liu, Guoqun
|
|
2014
|
1028 |
C |
p. 46-59
14 p.
|
artikel
|
| 13 |
On the Pd–C bonding in RPdX and RPdL2X (R=CH3, C6H5; L=PH3; X=H, F, Cl, Br, I) compounds
|
Nizovtsev, Anton S.
|
|
2014
|
1028 |
C |
p. 92-97
6 p.
|
artikel
|
| 14 |
Publisher’s note
|
van Daalen, Rob
|
|
2014
|
1028 |
C |
p. iv-
1 p.
|
artikel
|
| 15 |
Theoretical and computational studies of conformation, natural bond orbital and nonlinear optical properties of cis-N-phenylbenzohydroxamic acid
|
Aziz, Saadullah G.
|
|
2014
|
1028 |
C |
p. 65-71
7 p.
|
artikel
|
| 16 |
Theoretical study of antioxidative ability and antioxidative mechanism of norathyriol in solution
|
Hou, Chunyuan
|
|
2014
|
1028 |
C |
p. 87-91
5 p.
|
artikel
|
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