| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
An efficient optimization method for geminal-based wave functions
|
Chatterjee, Koushik
|
|
2016
|
135 |
11 |
p. 1-10
|
artikel
|
| 2 |
FASP: a framework for automation of Slater–Koster file parameterization
|
Lourenço, Maicon Pierre
|
|
2016
|
135 |
11 |
p. 1-12
|
artikel
|
| 3 |
Information-theoretic space from simple atomic and molecular systems to biological and pharmacological molecules
|
Esquivel, R. O.
|
|
2016
|
135 |
11 |
p. 1-6
|
artikel
|
| 4 |
Molecular graphs of $$\hbox {Mo}_{2n}\hbox {C}_n$$Mo2nCn (n = 1–10) clusters
|
Cruz-Olvera, Domingo
|
|
2016
|
135 |
11 |
p. 1-9
|
artikel
|
| 5 |
Optimized effective potentials at a glance: the effective exchange potential of Becke–Johnson applied to molecules
|
Proynov, Emil
|
|
2016
|
135 |
11 |
p. 1-11
|
artikel
|
| 6 |
Polarization effects on the third-order nonlinear optical properties of two polymorphs of enamine derivative
|
Ribeiro, Gabriela C.
|
|
2016
|
135 |
11 |
p. 1-10
|
artikel
|
| 7 |
Role of water clusters in the reaction of the simplest Criegee intermediate CH2OO with water vapour
|
Chen, Long
|
|
2016
|
135 |
11 |
p. 1-12
|
artikel
|
| 8 |
Theoretical determination of aqueous acid–base pK values: electronic structure calculations and steered molecular dynamic simulations
|
Tolosa, S.
|
|
2016
|
135 |
11 |
p. 1-10
|
artikel
|
| 9 |
Theoretical investigation of the reaction of ethanol with ground-state Co+(3F)
|
Zhang, Fengyun
|
|
2016
|
135 |
11 |
p. 1-8
|
artikel
|
| 10 |
Theoretical study of the global and local reactivity of a series of 3-aryl coumarins
|
Durand-Niconoff, J. Sergio
|
|
2016
|
135 |
11 |
p. 1-11
|
artikel
|
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