| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Comment on “A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity” by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42–46]
|
von Szentpály, László
|
|
2016
|
1083 |
C |
p. 72-74
3 p.
|
artikel
|
| 2 |
Density functional theory investigation of the ruthenium-catalyzed cycloisomerization of silicon-tethered 1,7-enynes
|
Zhang, XingHui
|
|
2016
|
1083 |
C |
p. 46-52
7 p.
|
artikel
|
| 3 |
D 3 h X 3 Li 3 + (X=C, Si and Ge): Superalkali cations containing three planar tetracoordinate X atoms
|
Guo, Jin-Chang
|
|
2016
|
1083 |
C |
p. 1-6
6 p.
|
artikel
|
| 4 |
Editorial Board
|
|
|
2016
|
1083 |
C |
p. IFC-
1 p.
|
artikel
|
| 5 |
Interplay between C–H⋯O, O–H⋯X (X=C, F, Cl) and H–O⋯Y (C, Cl, F) interactions in methane–water and halogen substituted methane–water complexes: Theoretical investigations of structure and energy
|
Mukhopadhyay, Anamika
|
|
2016
|
1083 |
C |
p. 19-30
12 p.
|
artikel
|
| 6 |
Ionization of cucurbiturils as a pathway to more stable host–guest complexes
|
Chaban, Vitaly V.
|
|
2016
|
1083 |
C |
p. 7-11
5 p.
|
artikel
|
| 7 |
New potential energy surface and rovibrational spectra of Ar⋯HCl complex: An ab initio study
|
Jouypazadeh, Hamidreza
|
|
2016
|
1083 |
C |
p. 64-71
8 p.
|
artikel
|
| 8 |
On the search of stable, aromatic and ionic endohedral compounds of C28: A theoretical study
|
Miralrio, Alan
|
|
2016
|
1083 |
C |
p. 53-63
11 p.
|
artikel
|
| 9 |
Reply to the “Comment on “A new equation based on ionization energies and electron affinities of atoms for calculating of group electronegativity” by S. Kaya and C. Kaya [Comput. Theoret. Chem. 1052 (2015) 42–46]”
|
Kaya, Savaş
|
|
2016
|
1083 |
C |
p. 75-76
2 p.
|
artikel
|
| 10 |
Theoretical and experimental potential energy surface (PES) of pentachlorocuprate(II) in two dimensions
|
Patra, Shanti G.
|
|
2016
|
1083 |
C |
p. 12-18
7 p.
|
artikel
|
| 11 |
Theoretical study on the isomerization of propargyl derivative to conjugated diene under Au(I)-catalyzed reaction: A DFT study
|
Basak, Atanu
|
|
2016
|
1083 |
C |
p. 38-45
8 p.
|
artikel
|
| 12 |
Understanding mechanisms of carbon dioxide conversion into methane for designing enhanced catalysts from first-principles
|
Shin, Dong Yun
|
|
2016
|
1083 |
C |
p. 31-37
7 p.
|
artikel
|
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