| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Additional diffuse functions in basis sets for dipole-bound excited states of anions
|
Morgan, W. James
|
|
2015
|
134 |
4 |
p. 1-9
|
artikel
|
| 2 |
A density functional theory study on the interaction of paraffins, olefins, and acetylenes with Na-ETS-10
|
Pillai, Renjith S.
|
|
2015
|
134 |
4 |
p. 1-12
|
artikel
|
| 3 |
Density functional theoretical analysis of structure, bonding, interaction and thermodynamic selectivity of hexavalent uranium (UO22+) and tetravalent plutonium (Pu4+) ion complexes of tetramethyl diglycolamide (TMDGA)
|
Pahan, S.
|
|
2015
|
134 |
4 |
p. 1-16
|
artikel
|
| 4 |
Electronic structure of kaempferol–Cu2+ coordination compounds: a DFT, QTAIM and NBO study in the gas phase
|
Ramírez Avi, María del Carmen
|
|
2015
|
134 |
4 |
p. 1-10
|
artikel
|
| 5 |
Evaluation of solvent effect on the amine-based CO2 absorbents by theory and experiment
|
Zhang, Ruilei
|
|
2015
|
134 |
4 |
p. 1-10
|
artikel
|
| 6 |
Exploring the sensitization properties of thienyl-functionalized tripyrrole Ru(II) complexes on TiO2 (101) surface: a theoretical study
|
Xie, Miao
|
|
2015
|
134 |
4 |
p. 1-14
|
artikel
|
| 7 |
Lateral interaction and spectroscopic constants of CO adsorbed on ZnO
|
Lima, Ítalo P. de
|
|
2015
|
134 |
4 |
p. 1-8
|
artikel
|
| 8 |
Montmorillonite interlayer surface chemistry: effect of magnesium ion substitution on cation adsorption
|
Lavikainen, Lasse P.
|
|
2015
|
134 |
4 |
p. 1-7
|
artikel
|
| 9 |
Prototypical metal–oxo bonds: the reactions of Cr(PF3)6, Fe(PF3)5, and Ni(PF3)4 with oxygen
|
Sun, Zhi
|
|
2015
|
134 |
4 |
p. 1-12
|
artikel
|
| 10 |
Reactivity of transition metal atoms supported or not on TiO2(110) toward CO and H adsorption
|
Helali, Zeineb
|
|
2015
|
134 |
4 |
p. 1-12
|
artikel
|
| 11 |
Revisiting the Kolbe–Schmitt reaction of sodium 2-naphthoxide
|
Marković, Svetlana
|
|
2015
|
134 |
4 |
p. 1-9
|
artikel
|
| 12 |
Scavenger mechanism of methylglyoxal by metformin. A DFT study
|
Solís-Calero, Christian
|
|
2015
|
134 |
4 |
p. 1-14
|
artikel
|
| 13 |
Separating nuclear spin isomers using a pump–dump laser scheme
|
Obaid, Rana
|
|
2015
|
134 |
4 |
p. 1-7
|
artikel
|
| 14 |
Ultrafast dynamics of electronically excited diborane radical cation
|
Reddy, V. Sivaranjana
|
|
2015
|
134 |
4 |
p. 1-12
|
artikel
|
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