| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Characterization of interaction energy and vibrational Raman spectra of nitrogen clathrate hydrates
|
Ramya, K.R.
|
|
2013
|
1023 |
C |
p. 1-4
4 p.
|
artikel
|
| 2 |
Computational investigations on the electronic and structural properties of germacyclopropylidenoids
|
Yıldız, Cem Burak
|
|
2013
|
1023 |
C |
p. 24-28
5 p.
|
artikel
|
| 3 |
Density functional study of bromine-doped lithium clusters
|
Şentürk, Şükrü
|
|
2013
|
1023 |
C |
p. 46-50
5 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2013
|
1023 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Electronic structure analysis of isomeric preferences of canonical and zwitterionic forms of lornoxicam
|
Nathavad, Zankhana P.
|
|
2013
|
1023 |
C |
p. 51-58
8 p.
|
artikel
|
| 6 |
Ground-state projected covalency index of the chemical bond
|
Szczepanik, Dariusz W.
|
|
2013
|
1023 |
C |
p. 83-87
5 p.
|
artikel
|
| 7 |
Methanolysis of Si(OCH3)4 and Al(OCH3)3 alkoxides: A comparative study with DFT method
|
Cheng, Xueli
|
|
2013
|
1023 |
C |
p. 19-23
5 p.
|
artikel
|
| 8 |
Molecular insight into the amine–water interaction: A combined vibrational, energetic and NBO/NEDA study
|
Lopes Jesus, A.J.
|
|
2013
|
1023 |
C |
p. 74-82
9 p.
|
artikel
|
| 9 |
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method
|
Fan, Guohong
|
|
2013
|
1023 |
C |
p. 10-18
9 p.
|
artikel
|
| 10 |
On the encapsulation of halide anions by bambus[6]uril
|
Denis, Pablo A.
|
|
2013
|
1023 |
C |
p. 5-9
5 p.
|
artikel
|
| 11 |
Quantum chemistry study on the third-order nonlinear optical properties of spirobifluorene derivatives
|
Li, Hai-Peng
|
|
2013
|
1023 |
C |
p. 95-98
4 p.
|
artikel
|
| 12 |
Reactivity of ethanol with ground state Ni+(2D) in the gas phase: A density functional study
|
Zhang, Fengyun
|
|
2013
|
1023 |
C |
p. 29-37
9 p.
|
artikel
|
| 13 |
Relative stability of keto-enol tautomers in 5,6-substituted uracils: Ab initio, DFT and PCM study
|
Lukmanov, Timur
|
|
2013
|
1023 |
C |
p. 38-45
8 p.
|
artikel
|
| 14 |
Theoretical studies on the structural and electronic properties of π-stacked cyano-thiophene-based molecules
|
Luschtinetz, Regina
|
|
2013
|
1023 |
C |
p. 65-73
9 p.
|
artikel
|
| 15 |
Theoretical study on the reaction mechanism of CO2 hydrogenation to methanol
|
Tao, Xumei
|
|
2013
|
1023 |
C |
p. 59-64
6 p.
|
artikel
|
| 16 |
The structure and large nonlinear optical properties of a novel octupolar electride Li@36Adz
|
Zhou, Zhong-Jun
|
|
2013
|
1023 |
C |
p. 99-103
5 p.
|
artikel
|
| 17 |
Unexpected strong stacking interactions between the homogeneous dimers of C6F x I(6− x ) (x =0, 1, 2, 3, 4 and 5)
|
Wang, Weizhou
|
|
2013
|
1023 |
C |
p. 88-94
7 p.
|
artikel
|
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