| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio prediction of the spectroscopic constants of NaN: Another potential candidate for a new Na-bearing interstellar molecule
|
Ishii, Keisaku
|
|
2006
|
427 |
1-3 |
p. 1-4
4 p.
|
artikel
|
| 2 |
Ab initio studies of hydrogen-bonded complexes: The H2O dimer, trimer and H2OCO
|
Vilela, Alessandra F.A.
|
|
2006
|
427 |
1-3 |
p. 29-34
6 p.
|
artikel
|
| 3 |
An approximate second-order Møller–Plesset perturbation approach for large molecular calculations
|
Nakajima, Takahito
|
|
2006
|
427 |
1-3 |
p. 225-229
5 p.
|
artikel
|
| 4 |
Anomalous dynamic behavior of ions and water molecules in dilute aqueous solution of 1-butyl-3-methylimidazolium bromide studied by NMR
|
Nakakoshi, Masamichi
|
|
2006
|
427 |
1-3 |
p. 87-90
4 p.
|
artikel
|
| 5 |
A novel parametrization scheme for classical and quantum mechanical simulations of large, floppy molecular systems
|
Miani, Andrea
|
|
2006
|
427 |
1-3 |
p. 230-235
6 p.
|
artikel
|
| 6 |
A possible mechanism of uncatalyzed growth of carbon nanotubes
|
Liu, Y.W.
|
|
2006
|
427 |
1-3 |
p. 142-146
5 p.
|
artikel
|
| 7 |
Assessment of semiempirical methods for the computation of charge transfer in DNA π-stacks
|
Voityuk, Alexander A.
|
|
2006
|
427 |
1-3 |
p. 177-180
4 p.
|
artikel
|
| 8 |
A study of dielectrophoretically aligned gallium nitride nanowires in metal electrodes and their electrical properties
|
Lee, S.-Y.
|
|
2006
|
427 |
1-3 |
p. 107-112
6 p.
|
artikel
|
| 9 |
Atmospheric chemistry of C4F9O(CH2)3OC4F9 and CF3CFHCF2O(CH2)3OCF3CFHCF2: Lifetimes, degradation products, and environmental impact
|
Toft, A.M.
|
|
2006
|
427 |
1-3 |
p. 41-46
6 p.
|
artikel
|
| 10 |
Carrier dynamics in porous silicon studied with a near-field heterodyne transient grating method
|
Yamaguchi, Masahiro
|
|
2006
|
427 |
1-3 |
p. 192-196
5 p.
|
artikel
|
| 11 |
Comparison of the surface-enhanced Raman scattering on sharp and truncated silver nanocubes
|
McLellan, Joseph M.
|
|
2006
|
427 |
1-3 |
p. 122-126
5 p.
|
artikel
|
| 12 |
Conformation and laser-induced fluorescence spectroscopy of phenetole in supersonic jet
|
Ramanathan, V.
|
|
2006
|
427 |
1-3 |
p. 18-23
6 p.
|
artikel
|
| 13 |
Contents
|
|
|
2006
|
427 |
1-3 |
p. vii-xviii
nvt p.
|
artikel
|
| 14 |
Cooperativity halogen bonding effect – Ab initio calculations on H2CO⋯(ClF) n complexes
|
Grabowski, Sławomir J.
|
|
2006
|
427 |
1-3 |
p. 51-55
5 p.
|
artikel
|
| 15 |
D-band Raman intensity of graphitic materials as a function of laser energy and crystallite size
|
Sato, K.
|
|
2006
|
427 |
1-3 |
p. 117-121
5 p.
|
artikel
|
| 16 |
2D phase transition of PF6 adlayers at the electrified ionic liquid/Au(111) interface
|
Pan, Ge-Bo
|
|
2006
|
427 |
1-3 |
p. 96-100
5 p.
|
artikel
|
| 17 |
Editorial Board
|
|
|
2006
|
427 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 18 |
Effect of hydroxylic compounds on the photophysical properties of ellipticine and its 6-methyl derivative: The origin of dual fluorescence
|
Miskolczy, Zsombor
|
|
2006
|
427 |
1-3 |
p. 76-81
6 p.
|
artikel
|
| 19 |
Fabrication of well-ordered molecular device arrays
|
Kim, Lily
|
|
2006
|
427 |
1-3 |
p. 137-141
5 p.
|
artikel
|
| 20 |
Fluctuations of Raman spectra of hydrogenated amorphous carbon deposited on electrochemically-roughened silver
|
Kudelski, Andrzej
|
|
2006
|
427 |
1-3 |
p. 206-209
4 p.
|
artikel
|
| 21 |
Fragment molecular orbital calculations on large scale systems containing heavy metal atom
|
Ishikawa, Takeshi
|
|
2006
|
427 |
1-3 |
p. 159-165
7 p.
|
artikel
|
| 22 |
Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods
|
Fornili, Arianna
|
|
2006
|
427 |
1-3 |
p. 236-240
5 p.
|
artikel
|
| 23 |
Geometric localisation in Möbius π systems
|
Fowler, Patrick W.
|
|
2006
|
427 |
1-3 |
p. 221-224
4 p.
|
artikel
|
| 24 |
H-bond patterns and structure distributions of water octamer (H2O)8 at finite temperatures
|
Miyake, Toshiko
|
|
2006
|
427 |
1-3 |
p. 215-220
6 p.
|
artikel
|
| 25 |
Infrared photodissociation spectra and solvation structures of Cu+(H2O) n (n =1–4)
|
Iino, Takuro
|
|
2006
|
427 |
1-3 |
p. 24-28
5 p.
|
artikel
|
| 26 |
Infrared spectrum and structure of the aci-nitro form of 2-nitrophenol in a low-temperature argon matrix
|
Nagaya, Maki
|
|
2006
|
427 |
1-3 |
p. 67-71
5 p.
|
artikel
|
| 27 |
K shell fluorescence yield of Cd and Zn in Cd1−x Zn x S thin films
|
Bacaksız, E.
|
|
2006
|
427 |
1-3 |
p. 132-136
5 p.
|
artikel
|
| 28 |
Measurement of two-photon absorption coefficient of dye molecules doped in polymer thin films based on ultrafast laser ablation
|
Nam, Jung Rim
|
|
2006
|
427 |
1-3 |
p. 210-214
5 p.
|
artikel
|
| 29 |
Modeling diatomic potential energy curves through the generalized exponential function
|
Esteves, C.S.
|
|
2006
|
427 |
1-3 |
p. 10-13
4 p.
|
artikel
|
| 30 |
Multicentered integrated QM:QM methods for weakly bound clusters: An efficient and accurate 2-body:many-body treatment of hydrogen bonding and van der Waals interactions
|
Tschumper, Gregory S.
|
|
2006
|
427 |
1-3 |
p. 185-191
7 p.
|
artikel
|
| 31 |
Natural abundance 43Ca NMR study of calcium-containing organic solids: A model study for Ca-binding biomaterials
|
Wong, Alan
|
|
2006
|
427 |
1-3 |
p. 201-205
5 p.
|
artikel
|
| 32 |
Photoelectron spectroscopy of acetone cluster anions, [ ( CH 3 ) 2 CO ] n - ( n = 2 , 5 – 15 )
|
Nakanishi, Ryuzo
|
|
2006
|
427 |
1-3 |
p. 56-61
6 p.
|
artikel
|
| 33 |
Photoelectron spectroscopy of titanium(IV) tert-butoxide
|
Novak, Igor
|
|
2006
|
427 |
1-3 |
p. 47-50
4 p.
|
artikel
|
| 34 |
Rovibrational energy levels for the electronic ground state of AlOH
|
Handy, Nicholas C.
|
|
2006
|
427 |
1-3 |
p. 14-17
4 p.
|
artikel
|
| 35 |
Signature of shape transition and shape coexistence in mesoscopic systems
|
Horoi, Mihai
|
|
2006
|
427 |
1-3 |
p. 147-152
6 p.
|
artikel
|
| 36 |
Spectra of the ν 1 and ν 3 bands of water molecules in helium droplets
|
Kuyanov, Kirill E.
|
|
2006
|
427 |
1-3 |
p. 5-9
5 p.
|
artikel
|
| 37 |
Structural and electronic properties of CaSiO3 triclinic
|
Henriques, J.M.
|
|
2006
|
427 |
1-3 |
p. 113-116
4 p.
|
artikel
|
| 38 |
Structure-making ions become structure breakers in glassy aqueous electrolyte solutions
|
Kanno, H.
|
|
2006
|
427 |
1-3 |
p. 82-86
5 p.
|
artikel
|
| 39 |
Surface alignment of the N-octadecylazatriquinacenium cation as determined by sum frequency generation on the surface of H2O and D2O
|
Baldelli, Steven
|
|
2006
|
427 |
1-3 |
p. 72-75
4 p.
|
artikel
|
| 40 |
Surface projected electronic band structure and adsorbate charge transfer dynamics: Ar adsorbed on Cu(111) and Cu(100)
|
Vijayalakshmi, S.
|
|
2006
|
427 |
1-3 |
p. 91-95
5 p.
|
artikel
|
| 41 |
The atomic and electronic structure of CdZnTe (111) A surface
|
Zha, Gangqiang
|
|
2006
|
427 |
1-3 |
p. 197-200
4 p.
|
artikel
|
| 42 |
The hydrogen bond strength: New proposals to evaluate the intermolecular interaction using DFT calculations and the AIM theory
|
Oliveira, B.G.
|
|
2006
|
427 |
1-3 |
p. 181-184
4 p.
|
artikel
|
| 43 |
Theoretical design of molecular photo- and acido-triggered non-linear optical switches
|
Mançois, Fabien
|
|
2006
|
427 |
1-3 |
p. 153-158
6 p.
|
artikel
|
| 44 |
Theoretical simulation of the ROA spectra of neutral cysteine and serine
|
Pecul, Magdalena
|
|
2006
|
427 |
1-3 |
p. 166-176
11 p.
|
artikel
|
| 45 |
Theoretical study of the dark-oxidation reaction mechanisms for organic polymers
|
Wang, Guixiu
|
|
2006
|
427 |
1-3 |
p. 35-40
6 p.
|
artikel
|
| 46 |
Theory of nonlinear ac susceptibilities of dynamic electrorheological fluids under a dc electric field
|
Tian, W.J.
|
|
2006
|
427 |
1-3 |
p. 101-106
6 p.
|
artikel
|
| 47 |
Thickness dependent photoconducting properties of ZnO films
|
Mridha, S.
|
|
2006
|
427 |
1-3 |
p. 62-66
5 p.
|
artikel
|
| 48 |
Underwater laser ablation approach to fabricating monodisperse metallic nanoparticles
|
Zhu, X.P.
|
|
2006
|
427 |
1-3 |
p. 127-131
5 p.
|
artikel
|
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