nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
A benchmark for the non-covalent interaction (NCI) index or… is it really all in the geometry?
|
Contreras-García, Julia |
|
2016 |
135 |
10 |
p. 1-14 |
artikel |
2 |
Can fused thiophene–pyrrole-containing rings act as possible new electrochromic dyes? A computational prediction
|
De Simone, Bruna Clara |
|
2016 |
135 |
10 |
p. 1-10 |
artikel |
3 |
Intramolecular charge transfer model in fluorescence processes
|
Piedras, Alejandro |
|
2016 |
135 |
10 |
p. 1-9 |
artikel |
4 |
Numerical test of SAC-CI methods for calculating vertical ionization energies
|
Corzo, H. H. |
|
2016 |
135 |
10 |
p. 1-8 |
artikel |
5 |
Quantum chemical study of the effect of π-bridge on the optical and electronic properties of sensitizers for DSSCs incorporating dioxythiophene and thiophene units
|
Delgado-Montiel, Tomás |
|
2016 |
135 |
10 |
p. 1-10 |
artikel |
6 |
Semi-segmented contraction of generally contracted basis sets by property minimization
|
Dyall, Kenneth G. |
|
2016 |
135 |
10 |
p. 1-13 |
artikel |
7 |
Stability constants of Cu(II)-piroxicam complexes in solution: a DFT study
|
Ledesma-Olvera, Lydia G. |
|
2016 |
135 |
10 |
p. 1-12 |
artikel |
8 |
Systematic treatment of spin-reactivity indicators in conceptual density functional theory
|
Miranda-Quintana, Ramón Alain |
|
2016 |
135 |
10 |
p. 1-18 |
artikel |
9 |
Tautomerism in some pyrimidine nucleoside analogues used in the treatment of cancer: an ab initio study
|
Mejía-Mazariegos, Luis |
|
2016 |
135 |
10 |
p. 1-12 |
artikel |
10 |
Theoretical study of C–X [X = Cl, Br] bond activation on aluminum nanoclusters
|
Sadhukhan, Tumpa |
|
2016 |
135 |
10 |
p. 1-10 |
artikel |
11 |
Why CpAl–Cr(CO)5 is linear while CpIn–Cr(CO)5 is not? Understanding the structure and bonding of the CpE–Cr(CO)5 (E = Group 13 element) complexes
|
Mondal, Sukanta |
|
2016 |
135 |
10 |
p. 1-8 |
artikel |