| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A new method for calculation of molecular hardness: A theoretical study
|
Kaya, Savaş
|
|
2015
|
1060 |
C |
p. 66-70
5 p.
|
artikel
|
| 2 |
Antioxidant activity of some phenolic aldehydes and their diimine derivatives: A DFT study
|
Borgohain, Romesh
|
|
2015
|
1060 |
C |
p. 17-23
7 p.
|
artikel
|
| 3 |
A phenomenological use of benzene tip to probe aromaticity
|
Shee, Nirmal K.
|
|
2015
|
1060 |
C |
p. 24-30
7 p.
|
artikel
|
| 4 |
Assessing accuracy of exchange–correlation functionals for singlet–triplet excitations
|
Hanas, Martyna
|
|
2015
|
1060 |
C |
p. 52-57
6 p.
|
artikel
|
| 5 |
A theoretical study on the encapsulation of halide anions by hexaprotonated form of aliphatic azacryptand 1,4,8,11,14,18,23,27-octaazabicyclo[9.9.9]nonacosane in both the gas phase and solution
|
Salehzadeh, Sadegh
|
|
2015
|
1060 |
C |
p. 43-51
9 p.
|
artikel
|
| 6 |
Comparative antioxidant potency and solvent polarity effects on HAT mechanisms of tocopherols
|
Bakhouche, Kahina
|
|
2015
|
1060 |
C |
p. 58-65
8 p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2015
|
1060 |
C |
p. IFC-
1 p.
|
artikel
|
| 8 |
HAl(OH)2 molecular structures and reaction paths. Post-Hartree–Fock, DFT calculations and infrared spectroscopic
|
Añez, Rafael
|
|
2015
|
1060 |
C |
p. 31-35
5 p.
|
artikel
|
| 9 |
Quantum-chemical study of the Fe(NO)2 fragment in the cation of mononuclear nitrosyl iron complex [Fe(SC(NH2)2)2(NO)2]Сl·H2O
|
Emel’yanova, Nina S.
|
|
2015
|
1060 |
C |
p. 1-9
9 p.
|
artikel
|
| 10 |
Reinvestigation of the aromaticity of mono- and polyphosphacyclopentadienide ions at the DFT level
|
Gupta, Raakhi
|
|
2015
|
1060 |
C |
p. 10-16
7 p.
|
artikel
|
| 11 |
Secondary bonding networks in small (HgS) n clusters: A theoretical investigation
|
Cheng, Hui
|
|
2015
|
1060 |
C |
p. 36-42
7 p.
|
artikel
|
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