| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Broken symmetry DFT calculations of exchange coupling constants for manganese–porphyrin quasi-one-dimensional molecular magnets
|
Oprea, Corneliu I.
|
|
2012
|
131 |
7 |
p. 1-13
|
article
|
| 2 |
Calculation of solvation free energies of Li+ and O2− ions and neutral lithium–oxygen compounds in acetonitrile using mixed cluster/continuum models
|
Bryantsev, Vyacheslav S.
|
|
2012
|
131 |
7 |
p. 1-11
|
article
|
| 3 |
Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics
|
Hajgató, Balázs
|
|
2012
|
131 |
7 |
p. 1-15
|
article
|
| 4 |
Host–guest and guest–guest interactions between xylene isomers confined in the MIL-47(V) pore system
|
Ghysels, An
|
|
2012
|
131 |
7 |
p. 1-13
|
article
|
| 5 |
Mechanism of ketone hydrosilylation using NHC–Cu(I) catalysts: a computational study
|
Vergote, Thomas
|
|
2012
|
131 |
7 |
p. 1-13
|
article
|
| 6 |
Relativistic segmented contraction basis sets with core-valence correlation effects for atoms 57La through 71Lu: Sapporo-DK-nZP sets (n = D, T, Q)
|
Sekiya, Masahiro
|
|
2012
|
131 |
7 |
p. 1-8
|
article
|
| 7 |
Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition: a comparative study of dissociation enthalpies
|
Phung, Quan Manh
|
|
2012
|
131 |
7 |
p. 1-9
|
article
|
| 8 |
S5 graphs as model systems for icosahedral Jahn–Teller problems
|
Ceulemans, A.
|
|
2012
|
131 |
7 |
p. 1-10
|
article
|
| 9 |
Why the traditional concept of local hardness does not work
|
Gál, Tamás
|
|
2012
|
131 |
7 |
p. 1-14
|
article
|
Journal description