| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A model-integrated computing approach to nanomaterials simulation
|
Iacovella, Christopher R.
|
|
2012
|
132 |
1 |
p. 1-9
|
artikel
|
| 2 |
A simple DFT-based diagnostic for nondynamical correlation
|
Fogueri, Uma R.
|
|
2012
|
132 |
1 |
p. 1-9
|
artikel
|
| 3 |
Atomistic simulations of an antimicrobial molecule interacting with a model bacterial membrane
|
Li, Yongle
|
|
2012
|
132 |
1 |
p. 1-8
|
artikel
|
| 4 |
Br2 dissociation in water clusters: the catalytic role of water
|
Santoyo-Flores, J. J.
|
|
2012
|
132 |
1 |
p. 1-7
|
artikel
|
| 5 |
Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and β-scission of the propyl radical
|
Segovia, Marc E.
|
|
2012
|
132 |
1 |
p. 1-18
|
artikel
|
| 6 |
Electronic structure analysis of small gold clusters Aum (m ≤ 16) by density functional theory
|
Zanti, Giuseppe
|
|
2012
|
132 |
1 |
p. 1-15
|
artikel
|
| 7 |
First-principles study of structure and stability in Si–C–O-based materials
|
Morales-García, A.
|
|
2012
|
132 |
1 |
p. 1-5
|
artikel
|
| 8 |
Ice growth from supercooled aqueous solutions of reactive oxygen species
|
Liyana-Arachchi, Thilanga P.
|
|
2012
|
132 |
1 |
p. 1-13
|
artikel
|
| 9 |
Repulsion integrals involving Slater-type functions and Yukawa potential
|
Rico, Jaime Fernández
|
|
2012
|
132 |
1 |
p. 1-9
|
artikel
|
| 10 |
Search of manifolds of nonsymmetric Valley-Ridge inflection points on the potential energy surface of HCN
|
Schmidt, Benjamin
|
|
2012
|
132 |
1 |
p. 1-9
|
artikel
|
| 11 |
Solvent effects on the two lowest-lying singlet excited states of 5-fluorouracil
|
Bistafa, Carlos
|
|
2012
|
132 |
1 |
p. 1-10
|
artikel
|
| 12 |
Theoretical investigations on electronic structures and photophysical properties of N-heteroaryl carbazole derivatives as host materials
|
Zhang, Ling-Ling
|
|
2012
|
132 |
1 |
p. 1-11
|
artikel
|
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