| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Charge transport and electronic properties of N-heteroquinones: quadruple weak hydrogen bonds and strong π–π stacking interactions
|
Yang, Guochun
|
|
2010
|
128 |
2 |
p. 257-264
|
artikel
|
| 2 |
Direct ab initio MD study on the hydrogen abstraction reaction of triplet state acetone from methanol molecule
|
Tachikawa, Hiroto
|
|
2010
|
128 |
2 |
p. 207-213
|
artikel
|
| 3 |
Dual-level direct dynamics studies on the hydrogen abstraction reactions of fluorine atoms with CF3CH2X(X=F, Cl)
|
Wang, Li
|
|
2010
|
128 |
2 |
p. 183-189
|
artikel
|
| 4 |
Influence of temperature, pressure, nanotube’s diameter and intertube distance on methane adsorption in homogeneous armchair open-ended SWCNT triangular arrays
|
Mahdizadeh, Sayyed Jalil
|
|
2010
|
128 |
2 |
p. 231-240
|
artikel
|
| 5 |
Low-lying electronic states of HNCS and its ions: a CASSCF/CASPT2 study
|
Liu, Tao
|
|
2010
|
128 |
2 |
p. 215-222
|
artikel
|
| 6 |
On the efficient calculation of the quantum properties (dipolar moments) of the molecular heteroatomic (nitrogen) polycyclic aromatic hydrocarbons
|
Álvarez-Collado, José Ramón
|
|
2010
|
128 |
2 |
p. 223-229
|
artikel
|
| 7 |
Theoretical investigation into optical and electronic properties of oligothiophene derivatives with phenyl ring as core or end-capped group in linear and V-shape
|
Tang, Shanshan
|
|
2010
|
128 |
2 |
p. 165-174
|
artikel
|
| 8 |
Theoretical prediction of ionization/oxidation potentials in conjugated polymers
|
Köse, Muhammet E.
|
|
2010
|
128 |
2 |
p. 157-164
|
artikel
|
| 9 |
Theoretical studies on model reaction pathways of prostaglandin H2 isomerization to prostaglandin D2/E2
|
Yamaguchi, Naoto
|
|
2010
|
128 |
2 |
p. 191-206
|
artikel
|
| 10 |
Theoretical study of one- and two-photon absorption properties of pyrene derivatives
|
Zhao, Yang
|
|
2010
|
128 |
2 |
p. 265-274
|
artikel
|
| 11 |
Theoretical study on the second-order nonlinear optical properties and reorganization energy of silafluorenes and spirobisilafluorenes derivatives
|
Si, Yanling
|
|
2010
|
128 |
2 |
p. 249-256
|
artikel
|
| 12 |
Three-propeller-blade-shaped electride: remarkable alkali-metal-doped effect on the first hyperpolarizability
|
Xu, Hong-Liang
|
|
2010
|
128 |
2 |
p. 241-248
|
artikel
|
| 13 |
Toward a fuzzy atom view within the context of the quantum theory of atoms in molecules: quasi-atoms
|
Zadeh, Farnaz Heidar
|
|
2010
|
128 |
2 |
p. 175-181
|
artikel
|
| 14 |
Vibrational energy relaxation of small molecules and ions in liquids
|
Skinner, J. L.
|
|
2010
|
128 |
2 |
p. 147-155
|
artikel
|
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