| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Alkyl-functionalized and methylidyne-doped boron nitride fullerene polymer precursors
|
Fortenberry, Ryan C.
|
|
2017
|
1105 |
C |
p. 46-51
6 p.
|
artikel
|
| 2 |
Borophene nanosheet molecular device for detection of ethanol – A first-principles study
|
Nagarajan, V.
|
|
2017
|
1105 |
C |
p. 52-60
9 p.
|
artikel
|
| 3 |
Computational investigation of structural and electronic properties of cis and trans structures of fluvoxamine as a nano-drug
|
Dadkhah, Samad
|
|
2017
|
1105 |
C |
p. 33-45
13 p.
|
artikel
|
| 4 |
CunTM: Promising catalysts for preferential oxidation of CO in H2-rich gas
|
Zheng, Xiaoli
|
|
2017
|
1105 |
C |
p. 1-13
13 p.
|
artikel
|
| 5 |
DFT investigation of CF bond activation by a low-coordinate cobalt(I) complex
|
Jiang, Quan
|
|
2017
|
1105 |
C |
p. 97-103
7 p.
|
artikel
|
| 6 |
Editorial Board
|
|
|
2017
|
1105 |
C |
p. IFC-
1 p.
|
artikel
|
| 7 |
On the performance of an complete basis set extrapolation scheme tailored for the equilibrium distance applied to the helium dimer potential energy surface
|
Sheng, Xiaowei
|
|
2017
|
1105 |
C |
p. 14-17
4 p.
|
artikel
|
| 8 |
Spin and orbital angular momentum transfer into Ga n As n nanocage: The change in induced magnetic field by tuning the light parameters and size of the molecule
|
Köksal, Koray
|
|
2017
|
1105 |
C |
p. 27-32
6 p.
|
artikel
|
| 9 |
The effects of water microsolvation on the C2O4 − ↔CO2·CO2 − core switching reaction: Perspective from exploration of pathways on the potential energy surfaces of small [(CO2)2(H2O) n ]− (n =1 and 2) clusters
|
Kondo, Manami
|
|
2017
|
1105 |
C |
p. 61-68
8 p.
|
artikel
|
| 10 |
Theoretical insights into the phosphorescent process of a series of 2-(2-trifluoromethyl) pyrimidine-pyridine based heteroleptic iridium(III) compounds: The influence of the ancillary ligand
|
Wang, Xin
|
|
2017
|
1105 |
C |
p. 69-76
8 p.
|
artikel
|
| 11 |
Theoretical investigation effects of anchor groups on photovoltaic properties for the C217-based dye sensitizer
|
Zhao, Caibin
|
|
2017
|
1105 |
C |
p. 89-96
8 p.
|
artikel
|
| 12 |
Theoretical study of the molecular structure and intramolecular proton transfer in benzohydroxamic acid
|
Arora, Richa
|
|
2017
|
1105 |
C |
p. 18-26
9 p.
|
artikel
|
| 13 |
Values of (Δf H o 298.15)(g) and (S° 298.15)(g) of the several N,N-ethylenebisalkaneamides calculated using RB3LYP/6-31G(D,P) AND CBS-4M approaches, and their correlation dependencies
|
Poskrebyshev, Gregory A.
|
|
2017
|
1105 |
C |
p. 77-88
12 p.
|
artikel
|
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