| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Assessment of time-dependent density functional theory for predicting excitation energies of bichromophoric peptides: case of tryptophan-phenylalanine
|
Pollet, Rodolphe
|
|
2008
|
121 |
5-6 |
p. 307-312
|
article
|
| 2 |
Chemical reaction paths and calculus of variations
|
Quapp, Wolfgang
|
|
2008
|
121 |
5-6 |
p. 227-237
|
article
|
| 3 |
Combined ab initio and classical molecular dynamics simulations of alkyl-lithium aggregates in ethereal solutions
|
Khartabil, Hassan K.
|
|
2008
|
121 |
5-6 |
p. 321-326
|
article
|
| 4 |
Core-valence correlating basis sets for alkali and alkaline earth metal atoms
|
Noro, Takeshi
|
|
2008
|
121 |
5-6 |
p. 289-295
|
article
|
| 5 |
Excited electronic and ionized states of the nitramide molecule, H2NNO2, studied by the symmetry-adapted-cluster configuration interaction method
|
Borges, Itamar
|
|
2008
|
121 |
5-6 |
p. 239-246
|
article
|
| 6 |
Metal induced molecular nano-extraction
|
Leon, Aned de
|
|
2008
|
121 |
5-6 |
p. 247-255
|
article
|
| 7 |
Narcissistic reaction pathways: an example of Maxwell’s theorem of geometrical optics applied to the intrinsic reaction coordinate model
|
Llunell, Miquel
|
|
2008
|
121 |
5-6 |
p. 279-288
|
article
|
| 8 |
On the mechanism of the OH initiated oxidation of acetylene in the presence of O2 and NOx
|
Galano, Annia
|
|
2008
|
121 |
5-6 |
p. 219-225
|
article
|
| 9 |
Quasirelativistic energy-consistent 5f-in-core pseudopotentials for pentavalent and hexavalent actinide elements
|
Moritz, Anna
|
|
2008
|
121 |
5-6 |
p. 297-306
|
article
|
| 10 |
Regioselectivity preference of testosterone hydroxylation by cytochrome P450 3A4
|
Zhang, Yan
|
|
2008
|
121 |
5-6 |
p. 313-319
|
article
|
| 11 |
Rotational symmetry of the molecular potential energy in the Cartesian coordinates
|
Grochowski, Paweł
|
|
2008
|
121 |
5-6 |
p. 257-266
|
article
|
| 12 |
Short- and long-range behavior of the inner and outer densities
|
Koga, Toshikatsu
|
|
2008
|
121 |
5-6 |
p. 267-270
|
article
|
| 13 |
The interconversion mechanism between TcO3+ and TcO2+ core of 99mTc labeled amine-oxime (AO) complexes
|
Jia, Hong-Mei
|
|
2008
|
121 |
5-6 |
p. 271-278
|
article
|
Journal description