| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
Atoms in molecules: beyond Born–Oppenheimer paradigm
|
Goli, Mohammad
|
|
2011
|
129 |
2 |
p. 235-245
|
article
|
| 2 |
Coalescence of metastable states in chemical reactions: double poles of the scattering matrix and exceptional points
|
Cavalli, Simonetta
|
|
2011
|
129 |
2 |
p. 141-150
|
article
|
| 3 |
Computational studies of the interactions of I− and I3− with TiO2 clusters: implications for dye-sensitized solar cells
|
Asaduzzaman, Abu Md.
|
|
2011
|
129 |
2 |
p. 199-208
|
article
|
| 4 |
Coupled cluster, B2PLYP and M06-2X investigation of the thermochemistry of five-membered nitrogen containing heterocycles, furan, and thiophene
|
Denis, Pablo A.
|
|
2011
|
129 |
2 |
p. 219-227
|
article
|
| 5 |
On the possible catalytic role of a single water molecule in the acetone + OH gas phase reaction: a theoretical pseudo-second-order kinetics study
|
Iuga, Cristina
|
|
2011
|
129 |
2 |
p. 209-217
|
article
|
| 6 |
Picture change error correction in the radial distributions of canonical orbital densities and total electron density of radon atom: the effect of the size of nucleus and the basis set limit
|
Bučinský, Lukáš
|
|
2011
|
129 |
2 |
p. 181-197
|
article
|
| 7 |
Stability criterion for organic ferromagnetism
|
Hatanaka, Masashi
|
|
2011
|
129 |
2 |
p. 151-160
|
article
|
| 8 |
Stereo-dynamics study of O + HCl → OH + Cl reaction on the 3A″, 3A′, and 1A′ states
|
Ge, Mei Hua
|
|
2011
|
129 |
2 |
p. 173-179
|
article
|
| 9 |
Structure and electronic properties of tris(4-hydroxy-1,5-naphthyridinato) aluminum (AlND3) and its methyl derivatives: a theoretical study
|
Laxmikanth Rao, J.
|
|
2011
|
129 |
2 |
p. 131-139
|
article
|
| 10 |
The elusive excited states of bithiophene: a CASPT2 detective story
|
Andrzejak, Marcin
|
|
2011
|
129 |
2 |
p. 161-172
|
article
|
| 11 |
The influence of thienyl-S,S-dioxidation on the photoluminescence and charge transport properties of dithienothiophenes: a theoretical study
|
Geng, Yun
|
|
2011
|
129 |
2 |
p. 247-255
|
article
|
| 12 |
Theoretical study of UV-Vis light absorption of some impurities in alkylbenzene type liquid scintillator solvents
|
Huang, Pin-Wen
|
|
2011
|
129 |
2 |
p. 229-234
|
article
|
| 13 |
Tuning the electronic structures and optical properties of fluorene-based donor–acceptor copolymers by changing the acceptors: a theoretical study
|
Wang, Yanling
|
|
2011
|
129 |
2 |
p. 257-270
|
article
|
Journal description