| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio simulations of doped single-walled carbon nanotube sensors
|
Talla, Jamal A.
|
|
2012
|
392 |
1 |
p. 71-77
7 p.
|
artikel
|
| 2 |
Absorption and fluorescence characteristics of photo-activated adenylate cyclase nano-clusters from the amoeboflagellate Naegleria gruberi NEG-M strain
|
Penzkofer, A.
|
|
2012
|
392 |
1 |
p. 46-54
9 p.
|
artikel
|
| 3 |
Adsorption of epoxy and hydroxyl groups on zigzag graphene nanoribbons: Insights from density functional calculations
|
Tang, Shaobin
|
|
2012
|
392 |
1 |
p. 33-45
13 p.
|
artikel
|
| 4 |
A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid–vapor interface
|
Chakraborty, Debashree
|
|
2012
|
392 |
1 |
p. 96-104
9 p.
|
artikel
|
| 5 |
A many-body theory of the Ti M2,3-VV Auger-photoelectron coincidence spectroscopy (APECS) spectrum of TiO2(110)
|
Ohno, Masahide
|
|
2012
|
392 |
1 |
p. 29-32
4 p.
|
artikel
|
| 6 |
An approach to global rovibrational analysis based on anharmonic ladder operators: Application to Hydrogen Selenide H 2 80 Se
|
Álvarez-Bajo, O.
|
|
2012
|
392 |
1 |
p. 63-70
8 p.
|
artikel
|
| 7 |
A perspective on novel sources of ultrashort electron and X-ray pulses
|
Carbone, F.
|
|
2012
|
392 |
1 |
p. 1-9
9 p.
|
artikel
|
| 8 |
A theoretical study of spectroscopy and metastability of the CN2+ dication
|
Fišer, J.
|
|
2012
|
392 |
1 |
p. 55-62
8 p.
|
artikel
|
| 9 |
Collision energy effect on the H′+BrH(ν =0, j =0)→H′Br+H reaction: A quasi-classical trajectory study
|
Liang, Jing-Juan
|
|
2012
|
392 |
1 |
p. 180-184
5 p.
|
artikel
|
| 10 |
Contents
|
|
|
2012
|
392 |
1 |
p. iii-x
nvt p.
|
artikel
|
| 11 |
Detailed dynamics of three-body recombination of ions in central collisions
|
Kabanov, Dmitrii B.
|
|
2012
|
392 |
1 |
p. 149-159
11 p.
|
artikel
|
| 12 |
Effect of ro-vibrational excitation of HCl on the stereodynamics for the reaction of O(3P)+HCl→OH+Cl
|
Ge, Mei Hua
|
|
2012
|
392 |
1 |
p. 185-191
7 p.
|
artikel
|
| 13 |
Electronic states of 1,4-bis(phenylethynyl)benzene: A synchrotron radiation linear dichroism investigation
|
Nguyen, Duy Duc
|
|
2012
|
392 |
1 |
p. 130-135
6 p.
|
artikel
|
| 14 |
Electronic structure and thermal decomposition of 5-methyltetrazole studied by UV photoelectron spectroscopy and theoretical calculations
|
Pinto, Rui M.
|
|
2012
|
392 |
1 |
p. 21-28
8 p.
|
artikel
|
| 15 |
High-capacity hydrogen storage of magnesium-decorated boron fullerene
|
Li, J.L.
|
|
2012
|
392 |
1 |
p. 16-20
5 p.
|
artikel
|
| 16 |
Hydrogen bonded NHO chains formed by chloranilic acid (CLA) with 4,4′-di-t-butyl-2,2′-bipyridyl (dtBBP) in the solid state
|
Bator, G.
|
|
2012
|
392 |
1 |
p. 114-121
8 p.
|
artikel
|
| 17 |
IFC (Editorial Board)
|
|
|
2012
|
392 |
1 |
p. IFC-
1 p.
|
artikel
|
| 18 |
Magnetism in disjoint/non-disjoint composite bands
|
Hatanaka, Masashi
|
|
2012
|
392 |
1 |
p. 90-95
6 p.
|
artikel
|
| 19 |
Many-body and quantum effects in the surface tension and surface energy of liquid neon and argon using the Fowler’s approximation
|
Abbaspour, Mohsen
|
|
2012
|
392 |
1 |
p. 107-113
7 p.
|
artikel
|
| 20 |
Matrix isolation study of the thermal and photochemical reaction of ozone with Trimethyl Indium
|
Locy, Andrew
|
|
2012
|
392 |
1 |
p. 192-197
6 p.
|
artikel
|
| 21 |
Molecular dynamics simulation based on the multi-component molecular orbital method: Application to H 5 O 2 + , D 5 O 2 + , and T 5 O 2 +
|
Ishimoto, Takayoshi
|
|
2012
|
392 |
1 |
p. 166-169
4 p.
|
artikel
|
| 22 |
On the relationship between one-electron potential and densities of Fisher information and Shannon entropy
|
Alipour, Mojtaba
|
|
2012
|
392 |
1 |
p. 105-106
2 p.
|
artikel
|
| 23 |
Photo-induced isomerization of three nitrotoluene isomers: A matrix-isolation infrared spectroscopic and quantum-chemical study
|
Zhang, Chaoyang
|
|
2012
|
392 |
1 |
p. 198-204
7 p.
|
artikel
|
| 24 |
Photophysical properties and photoreduction of N-acetyl- and N-benzoylphthalimides
|
Biczók, László
|
|
2012
|
392 |
1 |
p. 10-15
6 p.
|
artikel
|
| 25 |
Sano–Tachiya–Noolandi–Hong versus Onsager modelling of charge photogeneration in organic solids
|
Falkowski, K.
|
|
2012
|
392 |
1 |
p. 122-129
8 p.
|
artikel
|
| 26 |
Size effects on cation heats of formation. I. Methyl substitutions in nitrogenous compounds
|
Leach, Sydney
|
|
2012
|
392 |
1 |
p. 170-179
10 p.
|
artikel
|
| 27 |
Study of diffusion-controlled and activation–diffusion-controlled electron-transfer processes from quenching measurements
|
Villa, I.
|
|
2012
|
392 |
1 |
p. 160-165
6 p.
|
artikel
|
| 28 |
Subject index
|
|
|
2012
|
392 |
1 |
p. 215-220
6 p.
|
artikel
|
| 29 |
Superior performance of Mukherjee’s state-specific multi-reference coupled-cluster theory at the singles and doubles truncation scheme with localized active orbitals
|
Das, Sanghamitra
|
|
2012
|
392 |
1 |
p. 83-89
7 p.
|
artikel
|
| 30 |
Theoretical modeling of the spectroscopic absorption properties of luciferin and oxyluciferin: A critical comparison with recent experimental studies
|
Anselmi, Massimiliano
|
|
2012
|
392 |
1 |
p. 205-214
10 p.
|
artikel
|
| 31 |
Transition energies of Rn- and Fr-like actinide ions by relativistic intermediate Hamiltonian Fock-space coupled-cluster methods
|
Eliav, Ephraim
|
|
2012
|
392 |
1 |
p. 78-82
5 p.
|
artikel
|
| 32 |
Ultrafast coherent dynamics of nonadiabatically coupled quasi-degenerate excited states in molecules: Population and vibrational coherence transfers
|
Mineo, H.
|
|
2012
|
392 |
1 |
p. 136-142
7 p.
|
artikel
|
| 33 |
Water diffusion in and out of the β-barrel of GFP and the fast maturing fluorescent protein, TurboGFP
|
Li, Binsen
|
|
2012
|
392 |
1 |
p. 143-148
6 p.
|
artikel
|
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