| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Accurate calculations of the noncovalent systems with flat potential energy surfaces: Naphthalene dimer and azulene dimer
|
Chen, Ying
|
|
2017
|
1112 |
C |
p. 52-60
|
artikel
|
| 2 |
Catalytic influence of water and formic acid molecules on hydration of methylglyoxal in atmosphere
|
Wang, Yanqun
|
|
2017
|
1112 |
C |
p. 71-81
|
artikel
|
| 3 |
Coupled Cluster and Quantum Monte-Carlo potential energy curves of the ground state of Be2 and Be2 + molecules
|
Nasiri, Saeed
|
|
2017
|
1112 |
C |
p. 27-36
|
artikel
|
| 4 |
Editorial Board
|
|
|
2017
|
1112 |
C |
p. IFC
|
artikel
|
| 5 |
Ethylene insertion in the presence of new alkoxysilane electron donors for Ziegler-Natta catalyzed polyethylene
|
Kruawan, Sutiam
|
|
2017
|
1112 |
C |
p. 10-19
|
artikel
|
| 6 |
Inactivation possibility of pyrene by C20 fullerene via cycloaddition reactions: A theoretical study
|
Soleymani, Mousa
|
|
2017
|
1112 |
C |
p. 37-45
|
artikel
|
| 7 |
Lithium enhanced second hyperpolarizability of inverse sandwich compounds (M-C4X4-M; X=H, Li) of beryllium, magnesium and calcium
|
Mondal, Avijit
|
|
2017
|
1112 |
C |
p. 46-51
|
artikel
|
| 8 |
Mechanistic and kinetic study on the reaction of atomic O(3P) with CH3CCCl
|
Zhang, Yunju
|
|
2017
|
1112 |
C |
p. 61-70
|
artikel
|
| 9 |
Multireference configuration interaction study of ground and low-lying excited states of BrO radical
|
Zhou, Dan
|
|
2017
|
1112 |
C |
p. 94-103
|
artikel
|
| 10 |
Silybin interacting with Cu4, Ag4 and Au4 clusters: Do these constitute antioxidant materials?
|
Reina, Miguel
|
|
2017
|
1112 |
C |
p. 1-9
|
artikel
|
| 11 |
Sulfonation mechanism of benzene with SO3 in sulfuric acid or oleum or aprotic solvent: Obeying the transition state theory via a trimolecular electrophilic substitution clarified by density functional theory calculation
|
Shi, Hongchang
|
|
2017
|
1112 |
C |
p. 111-122
|
artikel
|
| 12 |
The influence of correlation effects on the electronic structure of double-decker bis(phthalocyaninato)-Dy, Tb complexes
|
Calborean, A.
|
|
2017
|
1112 |
C |
p. 104-110
|
artikel
|
| 13 |
Theoretical analyses of the time-resolved nuclear dynamics of the transition state for the 1,3,5,7-cyclooctatetraene unimolecular reaction
|
Tokizaki, Chihiro
|
|
2017
|
1112 |
C |
p. 20-26
|
artikel
|
| 14 |
Theoretical investigation of the spectroscopic constants for the ground-state diatomic species Cu2, Ag2, and Au2
|
Tu, Zheyan
|
|
2017
|
1112 |
C |
p. 88-93
|
artikel
|
| 15 |
The potential energy surface and infrared spectra of the Ar–C2H2 complex
|
Wang, Zhongquan
|
|
2017
|
1112 |
C |
p. 82-87
|
artikel
|
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