| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A study on the conformational space of the all-trans retinal deprotonated Schiff base
|
Chen, Hongwei
|
|
2016
|
1094 |
C |
p. 1-7
7 p.
|
artikel
|
| 2 |
A theoretical study of the microhydration of iodic acid (HOIO2)
|
Khanniche, Sarah
|
|
2016
|
1094 |
C |
p. 98-107
10 p.
|
artikel
|
| 3 |
A theoretical study on electrons attachment to the trans-[Pt(P)NH3Cl2] (P=3-picoline or pyridine) and the subsequent interacting with ribose moiety or thymine(T)
|
Huang, Ziping
|
|
2016
|
1094 |
C |
p. 47-54
8 p.
|
artikel
|
| 4 |
Computation of the excitation transfer in a two isotopic-species mixture
|
Manassah, Jamal T.
|
|
2016
|
1094 |
C |
p. 92-97
6 p.
|
artikel
|
| 5 |
Editorial Board
|
|
|
2016
|
1094 |
C |
p. IFC-
1 p.
|
artikel
|
| 6 |
Electronic structure, stability and spectroscopy of low-lying states of NO−, HNO− and HON− molecular anions
|
Ramlina Vamhindi, Berthelot Saïd Duvalier
|
|
2016
|
1094 |
C |
p. 69-81
13 p.
|
artikel
|
| 7 |
Exploring molecular flexibility and the interactions of Quercetin derivatives in the active site of α-glucosidase using molecular docking and charge density analysis
|
Qi, Y.J.
|
|
2016
|
1094 |
C |
p. 55-68
14 p.
|
artikel
|
| 8 |
Insights on the aromaticity of imidazolylidene carbenes by means of DFT calculations
|
Urbina, Andres S.
|
|
2016
|
1094 |
C |
p. 108-113
6 p.
|
artikel
|
| 9 |
Intermolecular interaction of guanidine and 2H-tetrazole: Enthalpy formation of guanidinium tetrazolate in the gas phase
|
Afyouni, Mohammad Reza
|
|
2016
|
1094 |
C |
p. 42-46
5 p.
|
artikel
|
| 10 |
Mechanism of pyrophosphate ion release in T7 RNA polymerase revealed by free energy simulations
|
Wu, Shaogui
|
|
2016
|
1094 |
C |
p. 127-132
6 p.
|
artikel
|
| 11 |
Metastable homonuclear diatomic trications X 2 3 + for elements X from the first three rows of the periodic table
|
Hogreve, H.
|
|
2016
|
1094 |
C |
p. 114-126
13 p.
|
artikel
|
| 12 |
Nonlinear optical properties of chromophores with indolizine donors: Theoretical study
|
Levitskaya, Alina I.
|
|
2016
|
1094 |
C |
p. 17-22
6 p.
|
artikel
|
| 13 |
Probing H 2 + nuclear vibration using high-order harmonic generation beyond two-level model
|
Nguyen, Ngoc-Ty
|
|
2016
|
1094 |
C |
p. 8-12
5 p.
|
artikel
|
| 14 |
Stability of Van der Waals complexes of the greenhouse effect gases CH4 and SF6 with imidazole in gas mixtures containing CO2
|
Boussessi, R.
|
|
2016
|
1094 |
C |
p. 82-91
10 p.
|
artikel
|
| 15 |
Theoretical study of the mechanism of the Wolff rearrangement of some diazocarbonyl compounds
|
Arora, Ritu
|
|
2016
|
1094 |
C |
p. 32-41
10 p.
|
artikel
|
| 16 |
Theoretical study of the sensor design strategy for colorimetric sensor array based on density functional theory
|
Gu, Haiyang
|
|
2016
|
1094 |
C |
p. 13-16
4 p.
|
artikel
|
| 17 |
Theoretical study on the PbI n (n =1–6) series molecules
|
Liu, Guoqun
|
|
2016
|
1094 |
C |
p. 23-31
9 p.
|
artikel
|
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