| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Anisotropy and roughness of the solid-liquid interface of BCC Fe
|
Sun, Yongli
|
|
2015
|
21 |
2 |
p. 1-11
|
artikel
|
| 2 |
Atomistic insights into the lung cancer-associated L755P mutation in HER2 resistance to lapatinib: a molecular dynamics study
|
Yang, Bei
|
|
2015
|
21 |
2 |
p. 1-12
|
artikel
|
| 3 |
Chalcogen-bonded complexes. Selenium-bound adducts of NH3, H2O, PH3, and H2S with OCSe, SCSe, and CSe2
|
Ramasami, Ponnadurai
|
|
2015
|
21 |
2 |
p. 1-7
|
artikel
|
| 4 |
Computational prediction for emission energy of iridium (III) complexes based on TDDFT calculations using exchange-correlation functionals containing various HF exchange percentages
|
Xu, Shengxian
|
|
2015
|
21 |
2 |
p. 1-7
|
artikel
|
| 5 |
Computational study of interaction of alkali metals with C3N nanotubes
|
Molani, Farzad
|
|
2015
|
21 |
2 |
p. 1-7
|
artikel
|
| 6 |
Density functional theory calculations on azobenzene derivatives: a comparative study of functional group effect
|
Piyanzina, Irina
|
|
2014
|
21 |
2 |
p. 1-5
|
artikel
|
| 7 |
First principles investigations of vinazene molecule and molecular crystal: a prospective candidate for organic photovoltaic applications
|
Mohamad, Mazmira
|
|
2015
|
21 |
2 |
p. 1-7
|
artikel
|
| 8 |
Homology modeling, molecular dynamic simulation, and docking based binding site analysis of human dopamine (D4) receptor
|
Khoddami, Minasadat
|
|
2015
|
21 |
2 |
p. 1-10
|
artikel
|
| 9 |
MaxMod: a hidden Markov model based novel interface to MODELLER for improved prediction of protein 3D models
|
Parida, Bikram K.
|
|
2015
|
21 |
2 |
p. 1-10
|
artikel
|
| 10 |
One lithium atom binding with P-nitroaniline: lithium salts or lithium electrides?
|
Gao, Ying
|
|
2015
|
21 |
2 |
p. 1-7
|
artikel
|
| 11 |
s-Block metallabenzene: aromaticity and hydrogen adsorption
|
Roszak, Rafał
|
|
2015
|
21 |
2 |
p. 1-18
|
artikel
|
| 12 |
Some molecular/crystalline factors that affect the sensitivities of energetic materials: molecular surface electrostatic potentials, lattice free space and maximum heat of detonation per unit volume
|
Politzer, Peter
|
|
2015
|
21 |
2 |
p. 1-11
|
artikel
|
| 13 |
Stochastic and empirical models of the absolute asymmetric synthesis by the Soai-autocatalysis
|
Barabás, Béla
|
|
2015
|
21 |
2 |
p. 1-13
|
artikel
|
| 14 |
Study on wrinkling in graphene under gradient shear by molecular dynamics simulation
|
Huang, Jianzhang
|
|
2015
|
21 |
2 |
p. 1-8
|
artikel
|
| 15 |
Theoretical predictions of thermodynamic parameters of adsorption of nitrogen containing environmental contaminants on kaolinite
|
Scott, Andrea Michalkova
|
|
2015
|
21 |
2 |
p. 1-16
|
artikel
|
| 16 |
Theoretical study of the stabilities and detonation performance of 5-nitro-3-trinitromethyl-1H-1,2,4-triazole and its derivatives
|
Zhang, Xueli
|
|
2015
|
21 |
2 |
p. 1-11
|
artikel
|
| 17 |
Transport engineering design of AND and NOR gates with a 1,4-2-phenyl-dithiolate molecule
|
Shokri, Aliasghar
|
|
2014
|
21 |
2 |
p. 1-7
|
artikel
|
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