| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the structural properties of acetonitrile–water mixtures
|
Chen, Jinfan
|
|
2015
|
457 |
C |
p. 87-97
11 p.
|
artikel
|
| 2 |
Calculation of intermolecular potentials for H2 H2 and H2 O2 dimers ab initio and prediction of second virial coefficients
|
Pham Van, Tat
|
|
2015
|
457 |
C |
p. 171-179
9 p.
|
artikel
|
| 3 |
Complex-valued derivative propagation method with approximate Bohmian trajectories for quantum barrier scattering
|
Chou, Chia-Chun
|
|
2015
|
457 |
C |
p. 160-170
11 p.
|
artikel
|
| 4 |
Computational investigation of hydrogen adsorption/desorption on Zr–η2–(C2H2) and its ion
|
Ma, Li-Juan
|
|
2015
|
457 |
C |
p. 57-62
6 p.
|
artikel
|
| 5 |
Contents
|
|
|
2015
|
457 |
C |
p. iii-ix
nvt p.
|
artikel
|
| 6 |
Determination of contact angle of droplet on convex and concave spherical surfaces
|
Wu, Dongyin
|
|
2015
|
457 |
C |
p. 63-69
7 p.
|
artikel
|
| 7 |
Elastic, lattice dynamical and thermal properties of zinc-blende CdSe x Te1− x ternary alloys
|
Benyettou, S.
|
|
2015
|
457 |
C |
p. 147-151
5 p.
|
artikel
|
| 8 |
Experimental and theoretical studies of hydrolysis of nerve agent sarin by binuclear zinc biomimetic catalysts
|
Guo, Nan
|
|
2015
|
457 |
C |
p. 70-77
8 p.
|
artikel
|
| 9 |
First-principles simulations of transition state spectra of the I+HI and I+DI reactions and vibrational bonding in IMuI
|
Yoshida, Takahiko
|
|
2015
|
457 |
C |
p. 51-56
6 p.
|
artikel
|
| 10 |
IFC (Editorial Board)
|
|
|
2015
|
457 |
C |
p. IFC-
1 p.
|
artikel
|
| 11 |
Importance of asparagine on the conformational stability and chemical reactivity of selected anti-inflammatory peptides
|
Soriano-Correa, Catalina
|
|
2015
|
457 |
C |
p. 180-187
8 p.
|
artikel
|
| 12 |
Investigation of structure, thermodynamic and surface properties of liquid metals using square well potential
|
Mishra, Raj Kumar
|
|
2015
|
457 |
C |
p. 13-18
6 p.
|
artikel
|
| 13 |
Molecular Dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels
|
Tringe, J.W.
|
|
2015
|
457 |
C |
p. 19-27
9 p.
|
artikel
|
| 14 |
Molecular dynamics simulation and NMR investigation of the association of the β-blockers atenolol and propranolol with a chiral molecular micelle
|
Morris, Kevin F.
|
|
2015
|
457 |
C |
p. 133-146
14 p.
|
artikel
|
| 15 |
Non-dispersive carrier transport in molecularly doped polymers and the convection–diffusion equation
|
Tyutnev, A.P.
|
|
2015
|
457 |
C |
p. 122-128
7 p.
|
artikel
|
| 16 |
Phenyl galactopyranosides – 13C CPMAS NMR and conformational analysis using genetic algorithm
|
Wałejko, Piotr
|
|
2015
|
457 |
C |
p. 43-50
8 p.
|
artikel
|
| 17 |
Proton dynamics in the hydrogen bonds of 4-amino-3,5-dihalogenobenzoic acid
|
Asaji, Tetsuo
|
|
2015
|
457 |
C |
p. 32-36
5 p.
|
artikel
|
| 18 |
Quantifying phase separation and interfacial area in organic photovoltaic bulk heterojunction processed with solvent additives
|
Xu, Wei-Long
|
|
2015
|
457 |
C |
p. 7-12
6 p.
|
artikel
|
| 19 |
Quantum chemical study of the electronic properties of an Iridium-based photosensitizer bound to medium-sized silver clusters
|
Bokareva, Olga S.
|
|
2015
|
457 |
C |
p. 1-6
6 p.
|
artikel
|
| 20 |
Solvation of narrow pores of graphene-like plates in simple dipolar liquids: Wetting and dewetting behavior and solvent dynamics for varying pore width and solute–solvent interaction
|
Rana, Malay Kumar
|
|
2015
|
457 |
C |
p. 78-86
9 p.
|
artikel
|
| 21 |
Synthesis, characterization and DFT calculations of electronic and optical properties of YbPO4
|
Khadraoui, Z.
|
|
2015
|
457 |
C |
p. 37-42
6 p.
|
artikel
|
| 22 |
Ternary and quaternary Lennard-Jones atomic clusters: The effects of atomic sizes on the compositions, geometries, and relative stability
|
Takeuchi, Hiroshi
|
|
2015
|
457 |
C |
p. 106-113
8 p.
|
artikel
|
| 23 |
The exact wavefunction of interacting N degrees of freedom as a product of N single-degree-of-freedom wavefunctions
|
Cederbaum, Lorenz S.
|
|
2015
|
457 |
C |
p. 129-132
4 p.
|
artikel
|
| 24 |
The nature of paramagnetic defects in tin (IV) oxide
|
Ivanovskaya, M.
|
|
2015
|
457 |
C |
p. 98-105
8 p.
|
artikel
|
| 25 |
Theoretical investigation of polymer chain stability in the metal coordinated azorubine and cyclam complex
|
Vlassa, Mihaela
|
|
2015
|
457 |
C |
p. 152-159
8 p.
|
artikel
|
| 26 |
Theoretical investigation on electronic properties and carrier mobilities of armchair graphyne nanoribbons
|
Ge, Hongyu
|
|
2015
|
457 |
C |
p. 114-121
8 p.
|
artikel
|
| 27 |
White-light-controlled resistive switching chearacteristics of TiO2/Cu2O composite nanorods array
|
Sun, Bai
|
|
2015
|
457 |
C |
p. 28-31
4 p.
|
artikel
|
Tijdschrift beschrijving