| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of the first excited state A 2 Σ + and of the transition A 2 Σ + ← X 2 Π of CNO
|
Léonard, C.
|
|
2008
|
458 |
1-3 |
p. 24-28
5 p.
|
artikel
|
| 2 |
Absolute electronegativity and hardness: An analogy with classical electrostatics suggests an interpretation of the Parr ‘electrophilicity index’ as a ‘global energy index’ leading to the ‘minimum electrophilicity principle’
|
Chaquin, Patrick
|
|
2008
|
458 |
1-3 |
p. 231-234
4 p.
|
artikel
|
| 3 |
A combined ab initio and Franck–Condon simulation study of the photodetachment spectrum of ZrO 2 -
|
Mok, Daniel K.W.
|
|
2008
|
458 |
1-3 |
p. 11-14
4 p.
|
artikel
|
| 4 |
Analysis of similarity of RNA secondary structures based on a 2D graphical representation
|
Li, Chun
|
|
2008
|
458 |
1-3 |
p. 249-252
4 p.
|
artikel
|
| 5 |
Anomalous behaviour in NO–Ar (Ã) photodissociation near threshold: A significant contribution from thermally populated states
|
Holmes-Ross, Heather L.
|
|
2008
|
458 |
1-3 |
p. 15-18
4 p.
|
artikel
|
| 6 |
Comparing RNA secondary structures based on 2D graphical representation
|
Zhang, Yi
|
|
2008
|
458 |
1-3 |
p. 180-185
6 p.
|
artikel
|
| 7 |
Contents
|
|
|
2008
|
458 |
1-3 |
p. iii-xvi
nvt p.
|
artikel
|
| 8 |
Control for oriented growth of large size KCl crystals by the competition between spontaneous and induced nucleation/growth on a Langmuir–Blodgett film
|
Lu, Fei
|
|
2008
|
458 |
1-3 |
p. 67-70
4 p.
|
artikel
|
| 9 |
Conversion of semiconducting behavior of carbon nanotubes using ball milling
|
Ma, Peng Cheng
|
|
2008
|
458 |
1-3 |
p. 166-169
4 p.
|
artikel
|
| 10 |
Critical fluctuations and noncritical relaxations of the nitrobenzene–isooctane system near its consolute point
|
Khabibullaev, P.K.
|
|
2008
|
458 |
1-3 |
p. 76-80
5 p.
|
artikel
|
| 11 |
DFT study on the gas phase reaction of Ni+ with CS2
|
Li, Tao Hong
|
|
2008
|
458 |
1-3 |
p. 19-23
5 p.
|
artikel
|
| 12 |
Editorial Board
|
|
|
2008
|
458 |
1-3 |
p. IFC-
1 p.
|
artikel
|
| 13 |
Effects of novel and stable intermolecular connections in the mechanical and electronic properties of C60 polymerized structures
|
Pérez-Terrazas, J.E.
|
|
2008
|
458 |
1-3 |
p. 128-133
6 p.
|
artikel
|
| 14 |
Efficiency reduction and pseudo-convergence in replica exchange sampling of peptide folding–unfolding equilibria
|
Denschlag, Robert
|
|
2008
|
458 |
1-3 |
p. 244-248
5 p.
|
artikel
|
| 15 |
Electron–vibration interactions in carrier-transport material: Vibronic coupling density analysis in TPD
|
Sato, Tohru
|
|
2008
|
458 |
1-3 |
p. 152-156
5 p.
|
artikel
|
| 16 |
Enantiomeric analysis using natural abundance deuterium 3D NMR spectroscopy in polypeptide chiral oriented media
|
Lesot, Philippe
|
|
2008
|
458 |
1-3 |
p. 219-222
4 p.
|
artikel
|
| 17 |
Erratum to “On the role of contact line tension and 2D defects in the formation of the water depletion layer on hydrophobic surfaces” [Chem. Phys. Lett. 456 (2008) 186–188]
|
Bormashenko, Edward
|
|
2008
|
458 |
1-3 |
p. 253-
1 p.
|
artikel
|
| 18 |
Evaluation of true energy of halogen bonding in the crystals of halogen derivatives of trityl alcohol
|
Shishkin, Oleg V.
|
|
2008
|
458 |
1-3 |
p. 96-100
5 p.
|
artikel
|
| 19 |
Exciplex luminescence in D2O solubilized AOT reverse micelle: A magnetic field effect study
|
Das, Doyel
|
|
2008
|
458 |
1-3 |
p. 81-87
7 p.
|
artikel
|
| 20 |
Experimental investigation of the 61Π and 71Π electronic states of KLi
|
Je¸drzejewski-Szmek, Z.
|
|
2008
|
458 |
1-3 |
p. 64-66
3 p.
|
artikel
|
| 21 |
Hydroxyl radical – Thymine adduct induced DNA damages
|
Schyman, Patric
|
|
2008
|
458 |
1-3 |
p. 186-189
4 p.
|
artikel
|
| 22 |
Infrared band intensities of bromine nitrate, BrONO2
|
Orphal, Johannes
|
|
2008
|
458 |
1-3 |
p. 44-47
4 p.
|
artikel
|
| 23 |
Infrared detection of dithioglyoxal from photolysis of 1,3-dithiol-2-one in solid argon and nitrogen
|
Mucha, Małgorzata
|
|
2008
|
458 |
1-3 |
p. 39-43
5 p.
|
artikel
|
| 24 |
Interplay of causticity and vorticality within the complex quantum Hamilton–Jacobi formalism
|
Sanz, A.S.
|
|
2008
|
458 |
1-3 |
p. 239-243
5 p.
|
artikel
|
| 25 |
Investigation of optical spectra and local structure for (CrF6)3− cluster in Cs2NaAlF6:Cr3+ and Cs2NaGaF6:Cr3+ systems
|
Jin-Ling, Huang
|
|
2008
|
458 |
1-3 |
p. 227-230
4 p.
|
artikel
|
| 26 |
Kinetics of non-thermal electron transfer controlled by the dynamical solvent effect
|
Feskov, Serguei
|
|
2008
|
458 |
1-3 |
p. 71-75
5 p.
|
artikel
|
| 27 |
Large-scale parallel calculations with combined coupled cluster and molecular mechanics formalism: Excitation energies of zinc–porphyrin in aqueous solution
|
Fan, Peng-Dong
|
|
2008
|
458 |
1-3 |
p. 205-209
5 p.
|
artikel
|
| 28 |
Lifetime of K+– SF 6 - heavy Rydberg states formed by electron transfer in K(np)-SF6 collisions
|
Cannon, M.
|
|
2008
|
458 |
1-3 |
p. 35-38
4 p.
|
artikel
|
| 29 |
Linear and non-linear optical response properties of β-enamino ketones
|
Misra, Ramprasad
|
|
2008
|
458 |
1-3 |
p. 54-57
4 p.
|
artikel
|
| 30 |
Local atomic structure and chemical bonding in liquid Te: An ab initio molecular-dynamics simulation
|
Zhao, G.
|
|
2008
|
458 |
1-3 |
p. 101-107
7 p.
|
artikel
|
| 31 |
Mechanistic theoretical insight of Ru(II) catalysts with a meridional–facial bpea fashion competition
|
Poater, Albert
|
|
2008
|
458 |
1-3 |
p. 200-204
5 p.
|
artikel
|
| 32 |
Metal-enhanced excimer (P-type) fluorescence
|
Zhang, Yongxia
|
|
2008
|
458 |
1-3 |
p. 147-151
5 p.
|
artikel
|
| 33 |
Molecular dynamics simulation of NaCl at the air/water interface with shell model
|
Wang, Xiaowei
|
|
2008
|
458 |
1-3 |
p. 235-238
4 p.
|
artikel
|
| 34 |
Nano-wire formation by self-assembly of silicon–metal cage-like molecules
|
Gueorguiev, G.K.
|
|
2008
|
458 |
1-3 |
p. 170-174
5 p.
|
artikel
|
| 35 |
Noble gas–sulfur anions: A theoretical investigation of FNgS − (Ng=He, Ar, Kr, Xe)
|
Borocci, Stefano
|
|
2008
|
458 |
1-3 |
p. 48-53
6 p.
|
artikel
|
| 36 |
Non-adiabatic transitions from the I2(E) induced by the transition dipole moment of I2(E–D) and the electric dipole moment of collision partners
|
Akopyan, M.E.
|
|
2008
|
458 |
1-3 |
p. 29-34
6 p.
|
artikel
|
| 37 |
(2+ n) REMPI of acetylene: Gerade Rydberg states and photorupture channels
|
Matthíasson, Kristján
|
|
2008
|
458 |
1-3 |
p. 58-63
6 p.
|
artikel
|
| 38 |
On the move of strongly chemisorbed species on metals: The example of O diffusion on Pd(111) surface
|
Markovits, Alexis
|
|
2008
|
458 |
1-3 |
p. 92-95
4 p.
|
artikel
|
| 39 |
Opto-electronic properties of titania nanotubes
|
Khan, M. Alam
|
|
2008
|
458 |
1-3 |
p. 134-137
4 p.
|
artikel
|
| 40 |
Ordering and orientational diffusion processes in thin dipolar liquid crystal film on metal surface
|
Zakharov, A.V.
|
|
2008
|
458 |
1-3 |
p. 122-127
6 p.
|
artikel
|
| 41 |
Ramsdellite-structured LiTiO2: A new phase predicted from ab initio calculations
|
Koudriachova, M.V.
|
|
2008
|
458 |
1-3 |
p. 108-112
5 p.
|
artikel
|
| 42 |
Rates of 1O2 (1Δg) production upon direct excitation of molecular oxygen by 1270nm laser radiation in air-saturated alcohols and micellar aqueous dispersions
|
Krasnovsky Jr., A.A.
|
|
2008
|
458 |
1-3 |
p. 195-199
5 p.
|
artikel
|
| 43 |
Recent advances in understanding transfer ions across aqueous interfaces
|
Wick, Collin D.
|
|
2008
|
458 |
1-3 |
p. 1-5
5 p.
|
artikel
|
| 44 |
Relativistic quantum-chemical calculations of magnetizabilities of noble gas atoms using the Douglas–Kroll–Hess method
|
Yoshizawa, Terutaka
|
|
2008
|
458 |
1-3 |
p. 223-226
4 p.
|
artikel
|
| 45 |
Rhythmic melting and crystallizing of ionic liquid 1-butyl-3-methylimidazolium bromide
|
Nishikawa, Keiko
|
|
2008
|
458 |
1-3 |
p. 88-91
4 p.
|
artikel
|
| 46 |
Rotational self-diffusion coefficients in dipolar organic liquid crystal film on the solid surfaces
|
Zakharov, A.V.
|
|
2008
|
458 |
1-3 |
p. 143-146
4 p.
|
artikel
|
| 47 |
Scanning tunneling microscopy and computational study of the self-directed growth of 1,3-butadiene and 2,3-dimethyl-1,3-butadiene on hydrogen-terminated silicon(100)-2×1
|
Zikovsky, Janik
|
|
2008
|
458 |
1-3 |
p. 117-121
5 p.
|
artikel
|
| 48 |
Self-assembly of sparsely distributed molecules: An efficient cluster algorithm
|
Bhattacharyay, A.
|
|
2008
|
458 |
1-3 |
p. 210-213
4 p.
|
artikel
|
| 49 |
Shape-controlled synthesis of silver nanoparticles: Ab initio study of preferential surface coordination with citric acid
|
Kilin, Dmitri S.
|
|
2008
|
458 |
1-3 |
p. 113-116
4 p.
|
artikel
|
| 50 |
Silica nanotubes decorated with internal periodic rings
|
Li, Ruying
|
|
2008
|
458 |
1-3 |
p. 138-142
5 p.
|
artikel
|
| 51 |
Singlet oxygen phosphorescence photosensitized in nano-aggregates of C60 buckminsterfullerene is insensitive to solvent and quenchers and strongly red-shifted indicating highly polarizable interior
|
Bilski, Piotr
|
|
2008
|
458 |
1-3 |
p. 157-160
4 p.
|
artikel
|
| 52 |
Spin–orbit coupling in keto-porphyrins
|
Kleinschmidt, Martin
|
|
2008
|
458 |
1-3 |
p. 190-194
5 p.
|
artikel
|
| 53 |
Strong carotenoid-to-peptide interaction immediately after triplet excitation triggering conformational changes in photo-reaction center-bound 15-cis-spheroidene as revealed by submicrosecond time-resolved Raman spectroscopy
|
Wang, Peng
|
|
2008
|
458 |
1-3 |
p. 175-179
5 p.
|
artikel
|
| 54 |
Temperature dependence of oxygen atom recombination in nitrogen after ozone photolysis
|
Smith, Gregory P.
|
|
2008
|
458 |
1-3 |
p. 6-10
5 p.
|
artikel
|
| 55 |
Tunneling spectroscopy of lander molecules on coinage metal surfaces
|
Ge, X.
|
|
2008
|
458 |
1-3 |
p. 161-165
5 p.
|
artikel
|
| 56 |
Vortex dynamics in the current–density of helium atom evolving in a time-dependent magnetic field: Exchange–correlation functionals of time-dependent current–density functional theory
|
Vikas,
|
|
2008
|
458 |
1-3 |
p. 214-218
5 p.
|
artikel
|
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