| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell $$ \left( {^{3} \Sigma^{ - } } \right) $$3Σ- phosphorus halides: PF and PCl
|
Harrison, James F.
|
|
2014
|
133 |
6 |
p. 1-10
|
artikel
|
| 2 |
Dispersion-corrected DFT study of methano and ethano bridged Wilcox torsion balances
|
Janesko, Benjamin G.
|
|
2014
|
133 |
6 |
p. 1-11
|
artikel
|
| 3 |
Finite-temperature full configuration interaction
|
Kou, Zhuangfei
|
|
2014
|
133 |
6 |
p. 1-9
|
artikel
|
| 4 |
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories
|
Karton, Amir
|
|
2014
|
133 |
6 |
p. 1-15
|
artikel
|
| 5 |
Influence of collision energy on the dynamics of the reaction H (2S) + NH (X3Σ−) → N (4S) + H2 (X1Σg+) by the state-to-state quantum mechanical study
|
Yao, Cui-Xia
|
|
2014
|
133 |
6 |
p. 1-8
|
artikel
|
| 6 |
Isaiah Shavitt: Computational chemistry pioneer
|
Zimmerman, S. C.
|
|
2014
|
133 |
6 |
p. 1-7
|
artikel
|
| 7 |
The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme
|
Zhang, Xiaoqian
|
|
2014
|
133 |
6 |
p. 1-8
|
artikel
|
| 8 |
Trihalide cations MF3+, MCl3+ and MBr3+, M = B, Al, Ga: pseudo Jahn–Teller coupling, electronic spectra and ionization potentials of MX3
|
Grein, Friedrich
|
|
2014
|
133 |
6 |
p. 1-10
|
artikel
|
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