| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values
|
Ruscic, Branko
|
|
2013
|
133 |
1 |
p. 1-12
|
artikel
|
| 2 |
A perspective on the localizability of Hartree–Fock orbitals
|
Høyvik, Ida-Marie
|
|
2013
|
133 |
1 |
p. 1-10
|
artikel
|
| 3 |
CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation
|
Boichot, R.
|
|
2013
|
133 |
1 |
p. 1-13
|
artikel
|
| 4 |
Copper(I) carbene hydride complexes acting both as reducing agent and precursor for Cu ALD: a study through density functional theory
|
Dey, Gangotri
|
|
2013
|
133 |
1 |
p. 1-7
|
artikel
|
| 5 |
Density functional study on structures, stabilities, and electronic properties of size-selected PdnSiq (n = 1–7 and q = 0, +1, −1) clusters
|
Begum, Pakiza
|
|
2013
|
133 |
1 |
p. 1-11
|
artikel
|
| 6 |
Density-matrix functional theory of strongly correlated fermions on lattice models and minimal-basis Hamiltonians
|
Töws, W.
|
|
2013
|
133 |
1 |
p. 1-15
|
artikel
|
| 7 |
How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations?
|
Humbert-Droz, Marie
|
|
2013
|
133 |
1 |
p. 1-20
|
artikel
|
| 8 |
Improved accuracy benchmarks of small molecules using correlation consistent basis sets
|
Feller, David
|
|
2013
|
133 |
1 |
p. 1-16
|
artikel
|
| 9 |
Intramolecular charge transfer and sensing mechanism for a colorimetric fluoride sensor based on 1,8-naphthalimide derivatives
|
Chen, Jun-Sheng
|
|
2013
|
133 |
1 |
p. 1-7
|
artikel
|
| 10 |
Modeling alumina atomic layer deposition reaction kinetics during the trimethylaluminum exposure
|
Travis, Curtisha D.
|
|
2013
|
133 |
1 |
p. 1-11
|
artikel
|
| 11 |
Modern valence-bond description of aromatic annulene ions
|
Karadakov, Peter B.
|
|
2013
|
133 |
1 |
p. 1-8
|
artikel
|
| 12 |
Stability of polar ZnO surfaces studied by pair potential method and local energy density method
|
Sun, Keju
|
|
2013
|
133 |
1 |
p. 1-7
|
artikel
|
| 13 |
The mechanism of the cycloaddition reaction of 1,3-dipole molecules with acetylene: an investigation with the unified reaction valley approach
|
Freindorf, Marek
|
|
2013
|
133 |
1 |
p. 1-18
|
artikel
|
| 14 |
Theoretically describing the 17O magnetic shielding constant of biomolecular systems: uracil and 5-fluorouracil in water environment
|
Gester, Rodrigo M.
|
|
2013
|
133 |
1 |
p. 1-8
|
artikel
|
| 15 |
Theoretical studies on the structures and electronic spectra of carbon chains CnN (n = 3–12)
|
Zhang, Yanxin
|
|
2013
|
133 |
1 |
p. 1-10
|
artikel
|
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