| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Acceptor number-dependent ultrafast photo-physical properties of push-pull chromophores using time-resolved methods
|
Chi, Xiao-Chun
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|
|
698 |
C |
p. 127-131
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artikel
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| 2 |
A comment on “The interaction of X 2 (X = F, Cl, and Br) with active sites of graphite” [Xu et al., Chem. Phys. Lett., 418, 413 (2006)]
|
Lechner, Christoph
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|
|
698 |
C |
p. 93-96
|
artikel
|
| 3 |
A computational study on the strength and nature of bifurcated aerogen bonds
|
Esrafili, Mehdi D.
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698 |
C |
p. 1-6
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artikel
|
| 4 |
An accurate computational method for the diffusion regime verification
|
Zhokh, Alexey A.
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698 |
C |
p. 176-180
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artikel
|
| 5 |
An explicitly correlated helium wave function in hyperspherical coordinates
|
Habrovský, Richard
|
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|
698 |
C |
p. 120-126
|
artikel
|
| 6 |
Antigen-dependent fluorescence response of anti-c-Myc Quenchbody studied by molecular dynamics simulations
|
Mori, Yoshiharu
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|
|
698 |
C |
p. 223-226
|
artikel
|
| 7 |
A short note on the paper of Liu et al. (2012). A relative Lempel-Ziv complexity: Application to comparing biological sequences. Chemical Physics Letters, volume 530, 19 March 2012, pages 107–112
|
Arit, Turkan
|
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|
698 |
C |
p. 110-113
|
artikel
|
| 8 |
Assessing exchange-correlation functionals for elasticity and thermodynamics of α - ZrW 2 O 8 : A density functional perturbation theory study
|
Weck, Philippe F.
|
|
|
698 |
C |
p. 195-199
|
artikel
|
| 9 |
Attaching Be or Mg to BH3 results in the formation of BeBH3 and MgBH3 molecules capable of forming stable anions
|
Anusiewicz, Iwona
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|
698 |
C |
p. 19-23
|
artikel
|
| 10 |
Bimolecular reactions of carbenes: Proton transfer mechanism
|
Abu-Saleh, Abd Al-Aziz A.
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|
698 |
C |
p. 36-40
|
artikel
|
| 11 |
Conductivity equations of protons transporting through 2D crystals obtained with the rate process theory and free volume concept
|
Hao, Tian
|
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|
698 |
C |
p. 67-71
|
artikel
|
| 12 |
Delocalization of frontier orbitals induced red emission for heptazine based thermally activated delayed fluorescence molecule: First-principles study
|
Kang, Yongxiang
|
|
|
698 |
C |
p. 187-194
|
artikel
|
| 13 |
Editorial Board
|
|
|
|
698 |
C |
p. ii
|
artikel
|
| 14 |
Electrochemical supramolecular recognition of hemin-carbon composites
|
Le, Hien Thi Ngoc
|
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|
698 |
C |
p. 102-109
|
artikel
|
| 15 |
Electronic-state-driven adsorption of O2 on a nanocrystalline TiO2 under ‘dark’ and UV-irradiation conditions: Ab initio study
|
Kevorkyants, R.
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|
|
698 |
C |
p. 97-101
|
artikel
|
| 16 |
First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory
|
Hashemi, Zohreh
|
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|
698 |
C |
p. 41-50
|
artikel
|
| 17 |
First-principles study of the effect of Cr and Al on the oxidation resistance of WSi2
|
Wang, Shuanglun
|
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|
698 |
C |
p. 211-217
|
artikel
|
| 18 |
Formation process of graphite film on Ni substrate with improved thickness uniformity through precipitation control
|
Kim, Seul-Gi
|
|
|
698 |
C |
p. 157-162
|
artikel
|
| 19 |
Free volume dependence on electrical properties of Poly (styrene co-acrylonitrile)/Nickel oxide polymer nanocomposites
|
Ningaraju, S.
|
|
|
698 |
C |
p. 24-35
|
artikel
|
| 20 |
Graphical abstract TOC
|
|
|
|
698 |
C |
p. IBC
|
artikel
|
| 21 |
Graphical abstract TOC
|
|
|
|
698 |
C |
p. OBC
|
artikel
|
| 22 |
Graphical abstract TOC
|
|
|
|
698 |
C |
p. III-X
|
artikel
|
| 23 |
Identification of the fragment of the 1-methylpyrene cation by mid-IR spectroscopy
|
Jusko, Pavol
|
|
|
698 |
C |
p. 206-210
|
artikel
|
| 24 |
Infrared spectroscopy and density functional calculations on titanium-dinitrogen complexes
|
Yoo, Hae-Wook
|
|
|
698 |
C |
p. 163-170
|
artikel
|
| 25 |
Insight into a conformation of the PNA-PNA duplex with (2′R,4′R)- and (2′R,4′S)-prolyl-(1S,2S)-2-aminocyclopentanecarboxylic acid backbones
|
Maitarad, Amphawan
|
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|
698 |
C |
p. 132-137
|
artikel
|
| 26 |
Li conduction pathways in solid-state electrolytes: Insights from dynamics and polarizability
|
Takahashi, Tsukasa
|
|
|
698 |
C |
p. 234-239
|
artikel
|
| 27 |
Modeling of gate bias controlled NO2 response of the PCDTBT based organic field effect transistor
|
Kumar, Ashwini
|
|
|
698 |
C |
p. 7-10
|
artikel
|
| 28 |
NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study
|
Dikmen, Gökhan
|
|
|
698 |
C |
p. 114-119
|
artikel
|
| 29 |
Nonadiabatic one-electron transfer mechanism for the O–O bond formation in the oxygen-evolving complex of photosystem II
|
Shoji, Mitsuo
|
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|
698 |
C |
p. 138-146
|
artikel
|
| 30 |
Permeability and storage ability of inorganic X12Y12 fullerenes for lithium atom and ion
|
Munsif, Sajida
|
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|
698 |
C |
p. 51-59
|
artikel
|
| 31 |
Pulsed laser-assisted ionic liquid electrodeposition of gallium nanoparticles and germanium nanostructures for energy storage
|
Yu, Zhaoliang
|
|
|
698 |
C |
p. 181-186
|
artikel
|
| 32 |
Relaxed structure of typical nitro explosives in the excited state: Observation, implication and application
|
Chu, Genbai
|
|
|
698 |
C |
p. 200-205
|
artikel
|
| 33 |
Sc2O@Cs (126339)-C92: Di-scandium oxide cluster encapsulated into a large fullerene cage
|
Gu, Yong-Xin
|
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|
698 |
C |
p. 77-84
|
artikel
|
| 34 |
Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors
|
Bokhan, Denis
|
|
|
698 |
C |
p. 171-175
|
artikel
|
| 35 |
Structural, electronic structure and antibacterial properties of graphene-oxide nano-sheets
|
Sharma, Aditya
|
|
|
698 |
C |
p. 85-92
|
artikel
|
| 36 |
Surface plasmon effect in electrodeposited diamond-like carbon films for photovoltaic application
|
Ghosh, B.
|
|
|
698 |
C |
p. 60-66
|
artikel
|
| 37 |
Synthesis, structural and optical properties of silver nanoparticles uniformly decorated ZnO nanowires
|
Zhang, Ke-Xin
|
|
|
698 |
C |
p. 147-151
|
artikel
|
| 38 |
Theoretical calculation of enthalpy of formation of multiconformational molecules: 1,2-ethanediol, propanediols, and glycerol
|
Dorofeeva, Olga V.
|
|
|
698 |
C |
p. 218-222
|
artikel
|
| 39 |
The vibrational spectrum of the hydrated alanine-leucine peptide in the amide region from IR experiments and first principles calculations
|
Hassan, Irtaza
|
|
|
698 |
C |
p. 227-233
|
artikel
|
| 40 |
TRAX-CHEM: A pre-chemical and chemical stage extension of the particle track structure code TRAX in water targets
|
Boscolo, D.
|
|
|
698 |
C |
p. 11-18
|
artikel
|
| 41 |
Tunneling induced electron transfer between separated protons
|
Vindel-Zandbergen, Patricia
|
|
|
698 |
C |
p. 152-156
|
artikel
|
| 42 |
Unusually high stability of B12(BO)12 2− achieved by boronyl ligand manipulation: Theoretical investigation
|
Moon, Jiwon
|
|
|
698 |
C |
p. 72-76
|
artikel
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