| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio energy partitioning at the correlated level
|
Vyboishchikov, Sergei F.
|
|
2006
|
430 |
1-3 |
p. 204-209
6 p.
|
artikel
|
| 2 |
Ab initio study of covalently functionalized carbon nanotubes
|
Veloso, Marcos V.
|
|
2006
|
430 |
1-3 |
p. 71-74
4 p.
|
artikel
|
| 3 |
A first-principles study of oxidation pattern in magic Si7 cluster
|
Zang, Q.J.
|
|
2006
|
430 |
1-3 |
p. 1-7
7 p.
|
artikel
|
| 4 |
A note on distance dependence in surface enhanced Raman spectroscopy
|
Liu, Feng Ming
|
|
2006
|
430 |
1-3 |
p. 173-176
4 p.
|
artikel
|
| 5 |
A theoretical investigation of the activation of propane by a rhodium catalyst
|
Xavier, Eder S.
|
|
2006
|
430 |
1-3 |
p. 160-166
7 p.
|
artikel
|
| 6 |
CF2 surface reactivity during hot filament and plasma-enhanced chemical vapor deposition of fluorocarbon films
|
Liu, Dongping
|
|
2006
|
430 |
1-3 |
p. 113-116
4 p.
|
artikel
|
| 7 |
Characterization of doping levels in heteronuclear, gas-phase, van der Waals clusters and their energy absorption from an intense optical field
|
Jha, J.
|
|
2006
|
430 |
1-3 |
p. 26-31
6 p.
|
artikel
|
| 8 |
Chirped modulation of molecular vibration in quinoidal thiophene after sub-5fs excitation
|
Wang, Zhuan
|
|
2006
|
430 |
1-3 |
p. 45-50
6 p.
|
artikel
|
| 9 |
Competing mechanisms for energy transfer in two-photon absorbing systems
|
Bradshaw, David S.
|
|
2006
|
430 |
1-3 |
p. 191-194
4 p.
|
artikel
|
| 10 |
Conformational behavior of semi-flexible polymers confined to a cylindrical surface
|
Kusner, Iliya
|
|
2006
|
430 |
1-3 |
p. 84-88
5 p.
|
artikel
|
| 11 |
Contents
|
|
|
2006
|
430 |
1-3 |
p. vii-xvii
nvt p.
|
artikel
|
| 12 |
Dynamic evolution of the oscillatory Belousov–Zhabotinsky reaction upon addition of a non-ionic polymer
|
Sciascia, Luciana
|
|
2006
|
430 |
1-3 |
p. 67-70
4 p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
2006
|
430 |
1-3 |
p. CO2-
1 p.
|
artikel
|
| 14 |
Energy level reordering and stability of MPb12 clusters: An interplay between geometry and electronic structure
|
Rajesh, Chinagandham
|
|
2006
|
430 |
1-3 |
p. 101-107
7 p.
|
artikel
|
| 15 |
Exchange force for two-level systems such as LiH and H 3 -
|
Howard, I.A.
|
|
2006
|
430 |
1-3 |
p. 156-159
4 p.
|
artikel
|
| 16 |
Excited state proton transfer in 2-hydroxypyridine–ammonia clusters: Theoretical investigation
|
Esboui, M.
|
|
2006
|
430 |
1-3 |
p. 195-203
9 p.
|
artikel
|
| 17 |
Interaction of solid organic acids with carbon nanotube field effect transistors
|
Klinke, Christian
|
|
2006
|
430 |
1-3 |
p. 75-79
5 p.
|
artikel
|
| 18 |
Jahn–Teller effect in Ag2+ doped KCl and NaCl: Is there any influence of the host lattice?
|
Trueba, A.
|
|
2006
|
430 |
1-3 |
p. 51-55
5 p.
|
artikel
|
| 19 |
Modeling the atomic structure of an amorphous Ni46Ti54 alloy produced by mechanical alloying using RMC simulations
|
Gasperini, A.A.M.
|
|
2006
|
430 |
1-3 |
p. 108-112
5 p.
|
artikel
|
| 20 |
Molecular dynamics of solid furosemide (4-chloro-2-furfurylamino-5-sulfamoyl-benzoic acid) studied by NMR and DFT methods
|
Latosińska, J.N.
|
|
2006
|
430 |
1-3 |
p. 127-132
6 p.
|
artikel
|
| 21 |
Molecular dynamics studies of protein-fragment models encapsulated into carbon nanotubes
|
Trzaskowski, Bartosz
|
|
2006
|
430 |
1-3 |
p. 97-100
4 p.
|
artikel
|
| 22 |
Nano-structured Li2O from LiOH by electron-irradiation
|
Hu, Yun Hang
|
|
2006
|
430 |
1-3 |
p. 80-83
4 p.
|
artikel
|
| 23 |
Non-additive quantum corrections to the virial coefficients
|
Monago, K.O.
|
|
2006
|
430 |
1-3 |
p. 21-25
5 p.
|
artikel
|
| 24 |
Observation of vibronic emission spectrum of jet-cooled 2,4-difluorobenzyl radical in a corona excitation
|
Lee, Gi Woo
|
|
2006
|
430 |
1-3 |
p. 8-12
5 p.
|
artikel
|
| 25 |
Photodissociation of isomeric dichloroethylenes in the ultraviolet: Effect of the second chlorine atom substitution on the dynamics
|
Chandra, Manabendra
|
|
2006
|
430 |
1-3 |
p. 32-35
4 p.
|
artikel
|
| 26 |
Photoinduced electron transfer of double-bridged phthalocyanine–fullerene dyads
|
Isosomppi, Marja
|
|
2006
|
430 |
1-3 |
p. 36-40
5 p.
|
artikel
|
| 27 |
Photo-mediated bromate–1,4-benzoquinone reaction: A novel photochemical oscillator
|
Zhao, Bei
|
|
2006
|
430 |
1-3 |
p. 41-44
4 p.
|
artikel
|
| 28 |
Planer nano-graphenes from camphor by CVD
|
Somani, Prakash R.
|
|
2006
|
430 |
1-3 |
p. 56-59
4 p.
|
artikel
|
| 29 |
Quantum mechanical study of the proton transfer via a peptide bond in the novel proton translocation pathway of cytochrome c oxidase
|
Takano, Yu
|
|
2006
|
430 |
1-3 |
p. 149-155
7 p.
|
artikel
|
| 30 |
Reassignment of the low lying cationic states in gas phase adenine and 9-methyl adenine
|
Satzger, Helmut
|
|
2006
|
430 |
1-3 |
p. 144-148
5 p.
|
artikel
|
| 31 |
Room temperature electroluminescence from the n-ZnMgO/ZnO/p-ZnMgO heterojunction device grown by ultrasonic spray pyrolysis
|
Bian, Jiming
|
|
2006
|
430 |
1-3 |
p. 183-187
5 p.
|
artikel
|
| 32 |
Sidewall functionalization of single-wall carbon nanotubes (SWNTs) through aryl free radical addition
|
Liu, Jie
|
|
2006
|
430 |
1-3 |
p. 93-96
4 p.
|
artikel
|
| 33 |
Stability limit of highly charged C60 cations produced with an intense long-wavelength laser pulse: Calculation of electronic structures by DFT and wavepacket simulation
|
Sahnoun, Riadh
|
|
2006
|
430 |
1-3 |
p. 167-172
6 p.
|
artikel
|
| 34 |
Testing the transition state theory in stochastic dynamics of a genetic switch
|
Ushikubo, Tomohiro
|
|
2006
|
430 |
1-3 |
p. 139-143
5 p.
|
artikel
|
| 35 |
The functional design of the rotary enzyme ATP synthase is consistent with maximum entropy production
|
Dewar, R.C.
|
|
2006
|
430 |
1-3 |
p. 177-182
6 p.
|
artikel
|
| 36 |
The hyperfine structure of sugars investigated by microwave spectroscopy and quantum chemical calculations
|
Rey, M.
|
|
2006
|
430 |
1-3 |
p. 121-126
6 p.
|
artikel
|
| 37 |
The influence of the desorption barrier on the transport of molecules through the external surface of nanoporous crystals
|
Gulín-González, J.
|
|
2006
|
430 |
1-3 |
p. 60-66
7 p.
|
artikel
|
| 38 |
Theoretical study of the global potential energy surface of the [CH3,N,C,S] system in singlet and triplet states
|
Fu, Zhen
|
|
2006
|
430 |
1-3 |
p. 13-20
8 p.
|
artikel
|
| 39 |
The vibrational spectra of vinylphosphine revisited: Infrared and theoretical studies from CCSD(T) and DFT anharmonic potential
|
Begue, Didier
|
|
2006
|
430 |
1-3 |
p. 215-220
6 p.
|
artikel
|
| 40 |
Three-photon absorption of a new series of halogenated fluorene derivatives
|
Cohanoschi, Ion
|
|
2006
|
430 |
1-3 |
p. 133-138
6 p.
|
artikel
|
| 41 |
TOF-MS investigation on methane aromatization over 3%Mo/HZSM-5 catalyst under supersonic jet expansion condition
|
Liu, B.S.
|
|
2006
|
430 |
1-3 |
p. 210-214
5 p.
|
artikel
|
| 42 |
Transition from heterogeneous catalytic reaction to homogeneous one by variation of palladium particle size
|
Zhao, Yanhong
|
|
2006
|
430 |
1-3 |
p. 117-120
4 p.
|
artikel
|
| 43 |
Unoccupied natural orbitals in two-electron Coulombic systems
|
Cioslowski, Jerzy
|
|
2006
|
430 |
1-3 |
p. 188-190
3 p.
|
artikel
|
| 44 |
X-ray induced decomposition of gold nitride
|
Butenko, Yu.V.
|
|
2006
|
430 |
1-3 |
p. 89-92
4 p.
|
artikel
|
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