| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio conformational analysis of fluoromethyl formate and difluoromethyl formate
|
Uchimaru, Tadafumi
|
|
2004
|
299 |
1 |
p. 25-32
8 p.
|
artikel
|
| 2 |
Ab initio studies on the atomic-scale origin of friction between hydrocarbon layers
|
Neitola, Raisa
|
|
2004
|
299 |
1 |
p. 47-56
10 p.
|
artikel
|
| 3 |
An electron momentum spectroscopy study of the outer valence orbitals of chlorodifluoromethane
|
Zhang, XuHuai
|
|
2004
|
299 |
1 |
p. 17-24
8 p.
|
artikel
|
| 4 |
Correlating substituent parameter values to electron transport properties of molecules
|
Vedova-Brook, Natalie
|
|
2004
|
299 |
1 |
p. 89-95
7 p.
|
artikel
|
| 5 |
DFT studies of pyridine corrosion inhibitors in electrical double layer: solvent, substrate, and electric field effects
|
Lashkari, M
|
|
2004
|
299 |
1 |
p. 131-137
7 p.
|
artikel
|
| 6 |
Dissociative double photoionisation of CO below the CO++ threshold
|
Hikosaka, Y.
|
|
2004
|
299 |
1 |
p. 147-154
8 p.
|
artikel
|
| 7 |
Editorial board
|
|
|
2004
|
299 |
1 |
p. IFC-
1 p.
|
artikel
|
| 8 |
Electron transfer reactions induced by the triplet state of thiacarbocyanine dimers
|
Chibisov, Alexander K.
|
|
2004
|
299 |
1 |
p. 1-10
10 p.
|
artikel
|
| 9 |
Energy transfer in a ladder-type methyl-poly(para-phenylene) doped by Pt(II)octaethylporphyrin
|
Bagnich, S.A.
|
|
2004
|
299 |
1 |
p. 11-16
6 p.
|
artikel
|
| 10 |
Generalized oscillator strength for core excitations of nitrous oxide
|
Barbatti, M.
|
|
2004
|
299 |
1 |
p. 83-88
6 p.
|
artikel
|
| 11 |
Hamiltonian operators including both symmetric and antisymmetric vibrational modes for vibronic coupling and intervalence charge-transfer applications
|
Reimers, Jeffrey R.
|
|
2004
|
299 |
1 |
p. 79-82
4 p.
|
artikel
|
| 12 |
Quantum interference in polycyclic hydrocarbon molecular wires
|
Walter, Derek
|
|
2004
|
299 |
1 |
p. 139-145
7 p.
|
artikel
|
| 13 |
Rotational barriers in ammonium hexachlorometallates as studied by NMR, tunnelling spectroscopy and ab initio calculations
|
Birczyński, A.
|
|
2004
|
299 |
1 |
p. 113-122
10 p.
|
artikel
|
| 14 |
Study of excitation energy migration and transfer in 3,3′-dimethyloxacarbocyanine iodide (DMOCI) and o-(6-diethylamino-3-diethylimino-3H-xanthen-9-yl) benzoic acid (RB) in thin films of polyvinyl alcohol
|
Tripathy, Umakanta
|
|
2004
|
299 |
1 |
p. 105-112
8 p.
|
artikel
|
| 15 |
Study of the diacetamide–water dimer with ab initio and density functional theory methods
|
Fu, Aiping
|
|
2004
|
299 |
1 |
p. 57-66
10 p.
|
artikel
|
| 16 |
Tautomerism and spectral properties of δ-carboline (5H-pyrido[3,2-b]indole) and its N,N-dimethyl derivative in aqueous media
|
Balón, M.
|
|
2004
|
299 |
1 |
p. 67-77
11 p.
|
artikel
|
| 17 |
The dynamics of molecular dimers in the crystals of m-aminobenzoic acid studied by inelastic neutron scattering (INS), Raman, IR spectroscopy and DFT calculations
|
Pawlukojć, A
|
|
2004
|
299 |
1 |
p. 39-45
7 p.
|
artikel
|
| 18 |
Theoretical electronic structure of the lowest-lying states of the LaCl molecule
|
Fahs, H.
|
|
2004
|
299 |
1 |
p. 97-103
7 p.
|
artikel
|
| 19 |
Theoretical study on the reaction of the 1 Σ + ground state of YS+ with oxygen-transfer reagent: YS+ +CO2 →YO+ +COS in the gas phase
|
Xie, Xiao-Guang
|
|
2004
|
299 |
1 |
p. 33-38
6 p.
|
artikel
|
| 20 |
Transition path sampling: rearrangement of cage water hexamer
|
Lee, Jin Yong
|
|
2004
|
299 |
1 |
p. 123-129
7 p.
|
artikel
|
Tijdschrift beschrijving