| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio studies of isomerization and dissociation reactions of peroxyacetyl nitrate (PAN)
|
Wei, Wen-Mei
|
|
2005
|
312 |
1-3 |
p. 241-259
19 p.
|
artikel
|
| 2 |
An ab initio dynamics study of the CH3Cl+OH reaction
|
Tzima, Theodora D.
|
|
2005
|
312 |
1-3 |
p. 169-176
8 p.
|
artikel
|
| 3 |
A new method for the calculation of two-pulse time- and frequency-resolved spectra
|
Gelin, M.F.
|
|
2005
|
312 |
1-3 |
p. 135-143
9 p.
|
artikel
|
| 4 |
A theoretical study of the role of the hydrogen bond on core ionization of the water dimer
|
Felicı́ssimo, V.C.
|
|
2005
|
312 |
1-3 |
p. 311-318
8 p.
|
artikel
|
| 5 |
Author index
|
|
|
2005
|
312 |
1-3 |
p. 335-338
4 p.
|
artikel
|
| 6 |
Barrier-less knock-on conduction in ion channels: peculiarity or general mechanism?
|
Yesylevskyy, S.O.
|
|
2005
|
312 |
1-3 |
p. 127-133
7 p.
|
artikel
|
| 7 |
Colored thermal noise driven dynamical system in the presence and absence of non-equilibrium constraint: time dependence of information entropy flux and entropy production
|
Goswami, Gurupada
|
|
2005
|
312 |
1-3 |
p. 47-53
7 p.
|
artikel
|
| 8 |
Comparison of the size of excitonic effects in molecular π systems as measured by core and valence spectroscopies
|
Schnadt, J.
|
|
2005
|
312 |
1-3 |
p. 39-45
7 p.
|
artikel
|
| 9 |
Conditions giving rise to intense visible room temperature photoluminescence in SrWO4 thin films: the role of disorder
|
Orhan, E.
|
|
2005
|
312 |
1-3 |
p. 1-9
9 p.
|
artikel
|
| 10 |
Editorial board
|
|
|
2005
|
312 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 11 |
Electronic structures and band gaps of chains and sheets based on phenylacetylene units
|
Kondo, Masakazu
|
|
2005
|
312 |
1-3 |
p. 289-297
9 p.
|
artikel
|
| 12 |
Electron photogeneration in a triblock co-polymer discotic liquid crystal
|
Bunning, J.C.
|
|
2005
|
312 |
1-3 |
p. 145-150
6 p.
|
artikel
|
| 13 |
Erratum to: Internal friction in the ultra fast folding of the tryptophan cage [Chem. Phys. 307 (2004) 243–249]
|
|
|
2005
|
312 |
1-3 |
p. 325-
1 p.
|
artikel
|
| 14 |
Excited state properties of cross-conjugated 1,2- and 1,3-distyrylbenzene and some aza-analogues
|
Marri, E.
|
|
2005
|
312 |
1-3 |
p. 205-211
7 p.
|
artikel
|
| 15 |
Interaction cetyltrimethylammonium bromide–DNA investigated by dielectric spectroscopy
|
Bonincontro, A.
|
|
2005
|
312 |
1-3 |
p. 55-60
6 p.
|
artikel
|
| 16 |
Interaction of poly (ethylene oxide)–poly (propylene oxide)–poly (ethylene oxide) triblock copolymer of molecular weight 2800 with sodium dodecylsulfate (SDS) micelles: some physicochemical studies
|
James, Jilly
|
|
2005
|
312 |
1-3 |
p. 275-287
13 p.
|
artikel
|
| 17 |
Internal friction in the ultrafast folding of the tryptophan cage
|
Qiu, Linlin
|
|
2005
|
312 |
1-3 |
p. 327-333
7 p.
|
artikel
|
| 18 |
Intramolecular electron transfer in cyclopeptide involving tryptophan and tyrosine and corrected two-sphere model for solvent reorganization energy
|
Tang, Jin
|
|
2005
|
312 |
1-3 |
p. 21-29
9 p.
|
artikel
|
| 19 |
Intramolecular proton transfer and tunnelling reactions of hydroxyphenylbenzoxazole derivatives in Xenon at 15 K
|
Walla, Peter J.
|
|
2005
|
312 |
1-3 |
p. 177-185
9 p.
|
artikel
|
| 20 |
Magneto-optical studies of silver atoms in neon matrices
|
Zoueu, J.T.
|
|
2005
|
312 |
1-3 |
p. 89-96
8 p.
|
artikel
|
| 21 |
Molecular complexes of organo-metallic molecules with rare gases: the rotational spectrum of difluorodimethylsilane–argon
|
Giuliano, Barbara M.
|
|
2005
|
312 |
1-3 |
p. 111-117
7 p.
|
artikel
|
| 22 |
Non-planarity and solvent effects on structural and polarizability properties of cytosine tautomers
|
Alparone, A.
|
|
2005
|
312 |
1-3 |
p. 261-274
14 p.
|
artikel
|
| 23 |
Pentamers of formic acid
|
Roy, Amlan K.
|
|
2005
|
312 |
1-3 |
p. 119-126
8 p.
|
artikel
|
| 24 |
Photophysical characterisation of some dipyrromethene dyes in ethyl acetate and covalently bound to poly(methyl methacrylate)
|
Susdorf, T.
|
|
2005
|
312 |
1-3 |
p. 151-158
8 p.
|
artikel
|
| 25 |
Photosensitization of thin SnO2 nanocrystalline semiconductor film electrodes with electron donor–acceptor metallodiporphyrin dyad
|
Gervaldo, Miguel
|
|
2005
|
312 |
1-3 |
p. 97-109
13 p.
|
artikel
|
| 26 |
Pore structure of silica gel: a comparative study through BET and PALS
|
Dutta, D.
|
|
2005
|
312 |
1-3 |
p. 319-324
6 p.
|
artikel
|
| 27 |
Quantum chemical study of the torsional motions for 9-vinylanthracene
|
Sakata, Ken
|
|
2005
|
312 |
1-3 |
p. 69-80
12 p.
|
artikel
|
| 28 |
Reduced-dimensionality quantum reactive scattering calculations of the C(3 P)+C2H2 reaction on a new potential energy surface
|
Takayanagi, Toshiyuki
|
|
2005
|
312 |
1-3 |
p. 61-67
7 p.
|
artikel
|
| 29 |
Renormalization group theory for fluids including critical region. II. Binary mixtures
|
Mi, Jianguo
|
|
2005
|
312 |
1-3 |
p. 31-38
8 p.
|
artikel
|
| 30 |
Scaled quantum chemical studies of the structure and vibrational spectra of 2,4-diaminoquinazoline and 4-amino-2-methylquinoline
|
Krishnakumar, V.
|
|
2005
|
312 |
1-3 |
p. 227-240
14 p.
|
artikel
|
| 31 |
Structure and dynamics of solvated Ba(II) in dilute aqueous solution – an ab initio QM/MM MD approach
|
Hofer, Thomas S.
|
|
2005
|
312 |
1-3 |
p. 81-88
8 p.
|
artikel
|
| 32 |
Study of the OD EPR phenomena in (COF)2 excited to single rotational levels of the 8 0 1 , 5 0 1 , 7 1 1 8 0 1 and 5 0 1 7 1 1 vibronic states: cluster formation investigated by the OD EPR
|
Makarov, Vladimir I.
|
|
2005
|
312 |
1-3 |
p. 11-19
9 p.
|
artikel
|
| 33 |
Subject Index
|
|
|
2005
|
312 |
1-3 |
p. 339-347
9 p.
|
artikel
|
| 34 |
The direct l-type resonance spectrum of CF3CCH in the vibrational state ν 10 =2
|
Wötzel, Ulf
|
|
2005
|
312 |
1-3 |
p. 159-167
9 p.
|
artikel
|
| 35 |
The lowest singlet, triplet, and quintuplet electronic states of SiC
|
Borin, Antonio Carlos
|
|
2005
|
312 |
1-3 |
p. 213-222
10 p.
|
artikel
|
| 36 |
Theoretical description of copper Cu(I)/Cu(II) complexes in mixed ammine-aqua environment. DFT and ab initio quantum chemical study
|
Pavelka, Matěj
|
|
2005
|
312 |
1-3 |
p. 193-204
12 p.
|
artikel
|
| 37 |
Theoretical study of triplet state properties of free-base porphin
|
Loboda, Oleksandr
|
|
2005
|
312 |
1-3 |
p. 299-309
11 p.
|
artikel
|
| 38 |
Theoretical study on the reaction of the 2Δ ground state of TiS+ with COS in the gas phase
|
Gao, Shu-Lin
|
|
2005
|
312 |
1-3 |
p. 187-192
6 p.
|
artikel
|
| 39 |
Use of auxiliary functions in calculation of multicenter electronic attraction, electric field and electric field gradient integrals of screened and nonscreened Coulomb potentials over noninteger n Slater orbitals
|
Guseinov, I.I.
|
|
2005
|
312 |
1-3 |
p. 223-226
4 p.
|
artikel
|
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