| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio correlated study of the Al13H− anion: Isomers, their kinetic stability and vertical detachment energies
|
Moc, Jerzy
|
|
2012
|
521 |
C |
p. 12-16
5 p.
|
artikel
|
| 2 |
Ab initio study on potential energy curves of electronic ground and excited states of 40CaH+ molecule
|
Abe, Minori
|
|
2012
|
521 |
C |
p. 31-35
5 p.
|
artikel
|
| 3 |
A combined Green’s function/density-functional theory study of electrical conducting properties of solvated single molecules tethered to Au electrodes
|
Hoshiba, Yasuhiro
|
|
2012
|
521 |
C |
p. 39-44
6 p.
|
artikel
|
| 4 |
A new fluorescent H+ sensor based on core-substituted naphthalene diimide
|
Cox, Rosalind P.
|
|
2012
|
521 |
C |
p. 59-63
5 p.
|
artikel
|
| 5 |
A possible alloying mechanism in idealized collisions between Cu and Sn crystals
|
Delogu, Francesco
|
|
2012
|
521 |
C |
p. 125-129
5 p.
|
artikel
|
| 6 |
Assessment of chemical core potentials for the computation on enthalpies of formation of transition-metal complexes
|
Mori, Hirotoshi
|
|
2012
|
521 |
C |
p. 150-156
7 p.
|
artikel
|
| 7 |
CdSe/ZnS quantum dot intermittency in N,N′-diphenyl-N,N′-bis(3-methylphenyl)-(1,1′-biphenyl)-4,4′-diamine (TPD)
|
Bixby, Teresa J.
|
|
2012
|
521 |
C |
p. 7-11
5 p.
|
artikel
|
| 8 |
Complete assignment of spin sublevels in the lowest excited triplet state of corrole compounds by time-resolved EPR spectroscopy
|
Yamauchi, Seigo
|
|
2012
|
521 |
C |
p. 64-68
5 p.
|
artikel
|
| 9 |
Contents
|
|
|
2012
|
521 |
C |
p. iii-xi
nvt p.
|
artikel
|
| 10 |
Determining thermophysical properties of undercooled liquid Ti–Al alloy by electromagnetic levitation
|
Zhou, K.
|
|
2012
|
521 |
C |
p. 52-54
3 p.
|
artikel
|
| 11 |
DFT study of the M segregation on MAu alloys (M=Ni, Pd, Pt) in presence of adsorbed oxygen O and O2
|
Dhouib, Adnene
|
|
2012
|
521 |
C |
p. 98-103
6 p.
|
artikel
|
| 12 |
Double core–hole correlation satellite spectra of N2 and CO molecules
|
Tashiro, Motomichi
|
|
2012
|
521 |
C |
p. 45-51
7 p.
|
artikel
|
| 13 |
Editorial Board
|
|
|
2012
|
521 |
C |
p. IFC-
1 p.
|
artikel
|
| 14 |
Effect of interparticle interactions on size determination of zirconia and silica based systems – A comparison of SAXS, DLS, BET, XRD and TEM
|
Pabisch, Silvia
|
|
2012
|
521 |
C |
p. 91-97
7 p.
|
artikel
|
| 15 |
Enhancing image contrast and slicing electron pulses in 4D near field electron microscopy
|
Park, Sang Tae
|
|
2012
|
521 |
C |
p. 1-6
6 p.
|
artikel
|
| 16 |
Evaluation of electron repulsion integral of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory
|
Nishizawa, Hiroaki
|
|
2012
|
521 |
C |
p. 142-149
8 p.
|
artikel
|
| 17 |
Infrared spectroscopic and thermodynamic study on hydrogen adsorption on the metal organic framework MIL-100(Sc)
|
Areán, Carlos Otero
|
|
2012
|
521 |
C |
p. 104-106
3 p.
|
artikel
|
| 18 |
Kinetics of the self-reactions of benzyl and o-xylyl radicals studied by cavity ring-down spectroscopy
|
Matsugi, Akira
|
|
2012
|
521 |
C |
p. 26-30
5 p.
|
artikel
|
| 19 |
Morphology and characterization of TiO2 nanoparticles synthesized by arc discharge
|
Fang, F.
|
|
2012
|
521 |
C |
p. 86-90
5 p.
|
artikel
|
| 20 |
Nanomechanical unfolding of α-neurexin: A major component of the synaptic junction
|
Mikulska, K.
|
|
2012
|
521 |
C |
p. 134-137
4 p.
|
artikel
|
| 21 |
On the accuracy of pseudopotentials designed for QMC calculations on molecules of the first row atoms
|
Fracchia, F.
|
|
2012
|
521 |
C |
p. 20-25
6 p.
|
artikel
|
| 22 |
Ordered structure formation from disordered atoms within undercooled liquid rhodium
|
Wang, H.P.
|
|
2012
|
521 |
C |
p. 55-58
4 p.
|
artikel
|
| 23 |
Pseudo-critical behavior on the partial molar volume of solutes in the isotropic phase of liquid crystal
|
Matsuoka, Tatsuro
|
|
2012
|
521 |
C |
p. 78-80
3 p.
|
artikel
|
| 24 |
Rapid synthesis of water-soluble gold nanoparticles with control of size and assembly using gas–liquid interfacial discharge plasma
|
Chen, Qiang
|
|
2012
|
521 |
C |
p. 113-117
5 p.
|
artikel
|
| 25 |
Restricting charge transfer in dye-graphene system
|
Dantham, V.R.
|
|
2012
|
521 |
C |
p. 130-133
4 p.
|
artikel
|
| 26 |
Shear relaxation of ammonium- and phosphonium-based ionic liquids with oxyethylene chain
|
Yamaguchi, Tsuyoshi
|
|
2012
|
521 |
C |
p. 69-73
5 p.
|
artikel
|
| 27 |
Simulation of electronic excitation in the liquid state by quantum mechanical charge field molecular dynamics
|
Bene, Gabriel E.
|
|
2012
|
521 |
C |
p. 74-77
4 p.
|
artikel
|
| 28 |
Symmetrical orthogonalization within linear space of molecular orbitals
|
Szczepanik, Dariusz
|
|
2012
|
521 |
C |
p. 157-160
4 p.
|
artikel
|
| 29 |
The J-mixing effect in Ln3+ ions crystal field levels
|
Souza, A.S.
|
|
2012
|
521 |
C |
p. 138-141
4 p.
|
artikel
|
| 30 |
Thermally-driven isotope separation across nanoporous graphene
|
Schrier, Joshua
|
|
2012
|
521 |
C |
p. 118-124
7 p.
|
artikel
|
| 31 |
The structures of trimetallic nitride fullerenes M3N@C88: Theoretical evidence of corporation between electron transfer interaction and size effect
|
Xu, Li
|
|
2012
|
521 |
C |
p. 81-85
5 p.
|
artikel
|
| 32 |
Ultrafast cis-to-trans photoisomerization of a bridged azobenzene through nπ∗ excitation: Rotational pathway is not restricted
|
Jiang, Chen-Wei
|
|
2012
|
521 |
C |
p. 107-112
6 p.
|
artikel
|
| 33 |
Unusual Li…Li–NX and XN–Li…Li–NX species (NX=NCH, N2, NH3, NH2(CH3), NH(CH3)2, N(CH3)3)
|
McDowell, Sean A.C.
|
|
2012
|
521 |
C |
p. 36-38
3 p.
|
artikel
|
| 34 |
Water wetting on representative metal surfaces: Improved description from van der Waals density functionals
|
Hamada, Ikutaro
|
|
2012
|
521 |
C |
p. 161-166
6 p.
|
artikel
|
| 35 |
White light generation by sensitized photon up-conversion
|
Monguzzi, Angelo
|
|
2012
|
521 |
C |
p. 17-19
3 p.
|
artikel
|
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