| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Alkyl chlorides as hydrogen bond acceptors
|
Nadas, Janos
|
|
2012
|
988 |
C |
p. 75-80
6 p.
|
artikel
|
| 2 |
Density functional theory Raman spectra of cyclic selenium clusters Se n (n =5–12)
|
Alparone, Andrea
|
|
2012
|
988 |
C |
p. 81-85
5 p.
|
artikel
|
| 3 |
Editorial Board
|
|
|
2012
|
988 |
C |
p. IFC-
1 p.
|
artikel
|
| 4 |
Electric quadrupole and hexadecapole moment, dipole polarizability and hyperpolarizability of the copper tetramer (Cu4) from pseudopotential calculations and a comparison with all-electron ab initio results
|
Maroulis, George
|
|
2012
|
988 |
C |
p. 34-41
8 p.
|
artikel
|
| 5 |
Exploring the unexpected pyridine- and 4,4′-bipyridine-catalyzed isomerization of maleic acid: A DFT approach
|
Karaman, Rafik
|
|
2012
|
988 |
C |
p. 63-74
12 p.
|
artikel
|
| 6 |
Halogen bonding of substituted iodobenzenes with potential solvent molecules: A comparison of binding energies
|
Piland, Geoffrey B.
|
|
2012
|
988 |
C |
p. 19-26
8 p.
|
artikel
|
| 7 |
Influence of the central atom on the electronic properties of Lindqvist polyoxometalates
|
Yan, Li-Kai
|
|
2012
|
988 |
C |
p. 1-5
5 p.
|
artikel
|
| 8 |
Partition function for hindered, one-and multi-dimensional rotors
|
Janakiraman, Deepika
|
|
2012
|
988 |
C |
p. 6-12
7 p.
|
artikel
|
| 9 |
Possibility of tracking imino–amino tautomerism of cytosine by ultra-short laser pulses using high-order harmonic generation
|
Nguyen, Thi-Hien
|
|
2012
|
988 |
C |
p. 92-97
6 p.
|
artikel
|
| 10 |
Proton–coupled electron transfer versus hydrogen atom transfer: A density functional reactivity theory characterization
|
Zhong, Aiguo
|
|
2012
|
988 |
C |
p. 13-18
6 p.
|
artikel
|
| 11 |
Reaction mechanisms for C–N bond coupling from IrAg+, CH4 and NH3: A density functional theory study
|
Hou, Xiufang
|
|
2012
|
988 |
C |
p. 42-47
6 p.
|
artikel
|
| 12 |
The influence of cation-π and anion-π interactions on the strength and nature of N⋯H hydrogen bond
|
Ebrahimi, Ali
|
|
2012
|
988 |
C |
p. 48-55
8 p.
|
artikel
|
| 13 |
Theoretical analysis of the color tuning mechanism of oxyluciferin and 5-hydroxyoxyluciferin
|
Pinto da Silva, Luís
|
|
2012
|
988 |
C |
p. 56-62
7 p.
|
artikel
|
| 14 |
Theoretical studies of molecular structure and vibrational spectra of free, H-bonded and coordinated nicotinamide
|
Soliman, Saied M.
|
|
2012
|
988 |
C |
p. 27-33
7 p.
|
artikel
|
| 15 |
Theoretical study on 1-butyl-3-methyl-4,5-dibromoimidazolium dis(trifluoromethane sulfonyl)imide and 1-(3,4-dibromobutyl)-3-methylimidazolium dis(trifluoromethane sulfonyl) imide ionic liquids
|
Lü, Renqing
|
|
2012
|
988 |
C |
p. 86-91
6 p.
|
artikel
|
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