| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Acetonitrile adsorption and decomposition on the SnO2 (110) surface: a first-principles computation
|
Zou, Xiujuan
|
|
2010
|
128 |
1 |
p. 63-67
|
artikel
|
| 2 |
An empirical, variational method of approach to unsymmetric valley-ridge inflection points
|
Quapp, Wolfgang
|
|
2010
|
128 |
1 |
p. 47-61
|
artikel
|
| 3 |
Assessment of the ωB97 family for excited-state calculations
|
Jacquemin, Denis
|
|
2010
|
128 |
1 |
p. 127-136
|
artikel
|
| 4 |
Atomic carbon adsorption on Ni nanoclusters: a DFT study
|
Wang, Qiang
|
|
2010
|
128 |
1 |
p. 17-24
|
artikel
|
| 5 |
Atomic shell structure based on inhomogeneity measures of the electron density
|
Wagner, K.
|
|
2010
|
128 |
1 |
p. 39-46
|
artikel
|
| 6 |
Computational insight into protein circular dichroism: detailed analysis of contributions of individual chromophores in TEM-1 β-lactamase
|
Christov, Christo
|
|
2010
|
128 |
1 |
p. 25-37
|
artikel
|
| 7 |
Direct calculation of the Coulomb matrix: Slater-type orbitals
|
Ema, Ignacio
|
|
2010
|
128 |
1 |
p. 115-125
|
artikel
|
| 8 |
Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
|
Prascher, Brian P.
|
|
2010
|
128 |
1 |
p. 69-82
|
artikel
|
| 9 |
Hydrogenated amorphous silicon nanostructures: novel structure–reactivity relationships for cyclization and ring opening in the gas phase
|
Adamczyk, Andrew J.
|
|
2010
|
128 |
1 |
p. 91-113
|
artikel
|
| 10 |
Importance of iron as the metal ion in peptide deformylase: a biomimetic computational study
|
Brown, Matthew F.
|
|
2010
|
128 |
1 |
p. 137-146
|
artikel
|
| 11 |
Quantum mechanical/molecular mechanical study of anthrax lethal factor catalysis
|
Smith, Christopher R.
|
|
2010
|
128 |
1 |
p. 83-90
|
artikel
|
| 12 |
Springer in the International Year of Chemistry 2011
|
|
|
2010
|
128 |
1 |
p. 1
|
artikel
|
| 13 |
Trends in template/fragment-free protein structure prediction
|
Zhou, Yaoqi
|
|
2010
|
128 |
1 |
p. 3-16
|
artikel
|
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