nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Adsorption and electronic states of morin on TiO2 nanoparticles
|
Zdyb, Agata |
|
2014 |
443 |
C |
p. 61-66 6 p. |
artikel |
2 |
A post-collision internal energy model for O(3P)+SO2( X , 1 A 1 ) in DSMC based on Molecular Dynamics computations
|
Parsons, Neal |
|
2014 |
443 |
C |
p. 33-44 12 p. |
artikel |
3 |
Contents
|
|
|
2014 |
443 |
C |
p. iii-vii nvt p. |
artikel |
4 |
Density functional theory study of neutral and singly-charged (NaBH4) n (n =1–6) nanoclusters
|
Yang, Yongpeng |
|
2014 |
443 |
C |
p. 45-52 8 p. |
artikel |
5 |
DFT study of reaction processes of methane combustion on PdO(100)
|
Dianat, Arezoo |
|
2014 |
443 |
C |
p. 53-60 8 p. |
artikel |
6 |
IFC (Editorial Board)
|
|
|
2014 |
443 |
C |
p. IFC- 1 p. |
artikel |
7 |
Incorporation of the TIP4P water model into a continuum solvent for computing solvation free energy
|
Yang, Pei-Kun |
|
2014 |
443 |
C |
p. 93-106 14 p. |
artikel |
8 |
Investigation of the stability of platinum clusters and the adsorption of nitrogen monoxide: First principles calculations
|
Hamad, Bothina |
|
2014 |
443 |
C |
p. 26-32 7 p. |
artikel |
9 |
L-glutamine: Dynamical properties investigation by means of INS, IR, RAMAN, 1H NMR and DFT techniques
|
Pawlukojć, A. |
|
2014 |
443 |
C |
p. 17-25 9 p. |
artikel |
10 |
Mechanistic insights into osmolyte action in protein stabilization under harsh conditions: N-methylacetamide in glycine betaine–urea mixture
|
Kumar, Narendra |
|
2014 |
443 |
C |
p. 133-141 9 p. |
artikel |
11 |
Multireference configuration interaction study on the potential energy curves and radiative lifetimes of low-lying excited states of CdH+ cation
|
Zhang, Xiaomei |
|
2014 |
443 |
C |
p. 142-148 7 p. |
artikel |
12 |
OH formation dynamics in 193nm photolysis of 2-methoxyethanol: A laser induced fluorescence study
|
SenGupta, Sumana |
|
2014 |
443 |
C |
p. 8-16 9 p. |
artikel |
13 |
Photodissociation dynamics of 2-chloro-6-nitrotoluene and nitrocyclopentane in gas phase: Laser-induced fluorescence detection of OH
|
Kawade, Monali N. |
|
2014 |
443 |
C |
p. 123-132 10 p. |
artikel |
14 |
Polymers’ surface interactions with molten iron: A theoretical study
|
Assadi, M. Hussein N. |
|
2014 |
443 |
C |
p. 107-111 5 p. |
artikel |
15 |
Reading fitness landscape diagrams through HSAB concepts
|
Vigneresse, Jean-Louis |
|
2014 |
443 |
C |
p. 87-92 6 p. |
artikel |
16 |
Solvation structure and dynamics of Ni2+(aq) from a polarizable force field
|
Mareš, Jiří |
|
2014 |
443 |
C |
p. 112-122 11 p. |
artikel |
17 |
Spin–spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase
|
Garbacz, Piotr |
|
2014 |
443 |
C |
p. 1-7 7 p. |
artikel |
18 |
Structures and energetics of Be n C n (n =1–5) and Be2 n C n (n =1–4) clusters
|
Fioressi, Silvina E. |
|
2014 |
443 |
C |
p. 76-86 11 p. |
artikel |
19 |
Theoretical estimation of pnicogen bonds and hydrogen bonds in small heterocyclic complexes: Red-shifts and blue-shifts ruled by polarization effects
|
Oliveira, Boaz G. |
|
2014 |
443 |
C |
p. 67-75 9 p. |
artikel |