| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Benchmarks for the 13C NMR chemical shielding tensors in peptides in the solid state
|
Czernek, Jiří
|
|
2012
|
527 |
C |
p. 31-35
5 p.
|
artikel
|
| 2 |
Comment on “On the optimal symmetric purification scheme of the one-particle density matrix” [Chem. Phys. Lett. 511 (2011) 159–160]
|
Rubensson, Emanuel H.
|
|
2012
|
527 |
C |
p. 84-85
2 p.
|
artikel
|
| 3 |
Computational dye design by changing the conjugation order: Failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit
|
Manzhos, Sergei
|
|
2012
|
527 |
C |
p. 51-56
6 p.
|
artikel
|
| 4 |
Condensed descriptors for reactivity: A methodological study
|
Zielinski, François
|
|
2012
|
527 |
C |
p. 67-72
6 p.
|
artikel
|
| 5 |
Contents
|
|
|
2012
|
527 |
C |
p. iii-vii
nvt p.
|
artikel
|
| 6 |
Direct observation of denitrogenation process of 2,3-diazabicyclo[2.2.1]hept-2-ene (DBH) derivatives, using a visible 5-fs pulse laser
|
Abe, Manabu
|
|
2012
|
527 |
C |
p. 79-83
5 p.
|
artikel
|
| 7 |
Editorial Board
|
|
|
2012
|
527 |
C |
p. IFC-
1 p.
|
artikel
|
| 8 |
Electronic spectroscopy of the cis and trans isomers of 1-methyl-2-phenylcyclopropane
|
Hamza, Abdulhamid
|
|
2012
|
527 |
C |
p. 16-21
6 p.
|
artikel
|
| 9 |
Enhancement of the second hyperpolarizability by dσ electrons in one-dimensional tetrametallic transition-metal systems
|
Fukui, Hitoshi
|
|
2012
|
527 |
C |
p. 11-15
5 p.
|
artikel
|
| 10 |
First-principles calculation of compensated (2N, W) codoping impacts on band gap engineering in anatase TiO2
|
Li, Min
|
|
2012
|
527 |
C |
p. 63-66
4 p.
|
artikel
|
| 11 |
Laser spectroscopy of the C1Σ+–X1Σ+ transition of ScBr
|
Xia, Y.
|
|
2012
|
527 |
C |
p. 7-10
4 p.
|
artikel
|
| 12 |
Novel 2,4-difluorophenyl-functionalized arylamine as hole-injecting/hole-transporting layers in organic light-emitting devices
|
Li, Zhanfeng
|
|
2012
|
527 |
C |
p. 36-41
6 p.
|
artikel
|
| 13 |
Photon management in La2BaZnO5:Tm3+, Yb3+ and La2BaZnO5:Pr3+, Yb3+ by two step cross-relaxation and energy transfer
|
Jaffrès, A.
|
|
2012
|
527 |
C |
p. 42-46
5 p.
|
artikel
|
| 14 |
Pulsed-dosing controls self-assembly: 1-Bromopentane on Si(111)-7×7
|
Eisenstein, Alon
|
|
2012
|
527 |
C |
p. 1-6
6 p.
|
artikel
|
| 15 |
Reply to Comment on ‘On the optimal symmetric purification scheme of the one-particle density matrix’
|
Kim, Jaehoon
|
|
2012
|
527 |
C |
p. 86-88
3 p.
|
artikel
|
| 16 |
Self assembling monolayers of dialkynyl bridged Pd(II) thiols obtained by thermally induced multilayer desorption: Thermal and chemical stability investigated by SR-XPS
|
Battocchio, C.
|
|
2012
|
527 |
C |
p. 57-62
6 p.
|
artikel
|
| 17 |
Solvation structure and energetics of single ions at the aqueous liquid–vapor interface
|
Bauer, Brad A.
|
|
2012
|
527 |
C |
p. 22-26
5 p.
|
artikel
|
| 18 |
Thermal boundary resistance at the graphene–graphene interface estimated by molecular dynamics simulations
|
Konatham, D.
|
|
2012
|
527 |
C |
p. 47-50
4 p.
|
artikel
|
| 19 |
Towards understanding proton affinity and gas-phase basicity with density functional reactivity theory
|
Huang, Ying
|
|
2012
|
527 |
C |
p. 73-78
6 p.
|
artikel
|
| 20 |
Two-step photoionization of trans-stilbene in acetonitrile via an ion-pair precursor studied with picosecond time-resolved absorption and Raman spectroscopies
|
Miki, Hiroko
|
|
2012
|
527 |
C |
p. 27-30
4 p.
|
artikel
|
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