| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio insight into graphene nanofibers to destabilize hydrazine borane for hydrogen release
|
Qian, Zhao
|
|
2017
|
669 |
C |
p. 110-114
5 p.
|
artikel
|
| 2 |
Acid-induced crystallinity enhancement of graphite-like C3N3+xHy synthesized through a facile one-pot approach
|
Yin, Hao
|
|
2017
|
669 |
C |
p. 22-28
7 p.
|
artikel
|
| 3 |
An investigation on dispersion and stability of water‐soluble fullerenol (C60OH) in water via UV–Visible spectroscopy
|
Najafi, Abolhassan
|
|
2017
|
669 |
C |
p. 115-118
4 p.
|
artikel
|
| 4 |
Approximate quantum trajectory approach to the Schrödinger-Langevin equation for barrier transmission
|
Chou, Chia-Chun
|
|
2017
|
669 |
C |
p. 181-187
7 p.
|
artikel
|
| 5 |
Atmospheric oxidation of carbon disulfide (CS2)
|
Zeng, Zhe
|
|
2017
|
669 |
C |
p. 43-48
6 p.
|
artikel
|
| 6 |
Comment on a spurious prediction of a non-planar geometry for benzene at the MP2 level of theory
|
Samala, Nagaprasad Reddy
|
|
2017
|
669 |
C |
p. 230-232
3 p.
|
artikel
|
| 7 |
Complete spin contamination-free MP2 method
|
Nishida, Manami
|
|
2017
|
669 |
C |
p. 224-229
6 p.
|
artikel
|
| 8 |
Contents
|
|
|
2017
|
669 |
C |
p. iii-xiii
nvt p.
|
artikel
|
| 9 |
Cooperative coupling of the Li cation and groups to amplify the charge transfer between C60 and corannulene
|
Sun, Gang
|
|
2017
|
669 |
C |
p. 166-170
5 p.
|
artikel
|
| 10 |
Cyanide anion sensing mechanism of 1,3,5,7-tetratolyl aza-BODIPY: Intramolecular charge transfer and partial configuration change
|
Bhat, Haamid R.
|
|
2017
|
669 |
C |
p. 9-16
8 p.
|
artikel
|
| 11 |
Editorial Board
|
|
|
2017
|
669 |
C |
p. IFC-
1 p.
|
artikel
|
| 12 |
Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect
|
Santos, O.L.
|
|
2017
|
669 |
C |
p. 176-180
5 p.
|
artikel
|
| 13 |
Electrochemical properties of poly(vinyl alcohol) and graphene oxide composite for supercapacitor applications
|
Theophile, Niyitanga
|
|
2017
|
669 |
C |
p. 125-129
5 p.
|
artikel
|
| 14 |
Electronic and vibrational properties of transition metal-oxides: Comparison of GGA, GGA+U, and hybrid approaches
|
Pandey, Sumeet C.
|
|
2017
|
669 |
C |
p. 1-8
8 p.
|
artikel
|
| 15 |
Ginzburg-Landau free energy for molecular fluids: Determination and coarse-graining
|
Desgranges, Caroline
|
|
2017
|
669 |
C |
p. 218-223
6 p.
|
artikel
|
| 16 |
Heterodiffusion of Ag adatoms on imperfect Au(110) surfaces
|
El koraychy, E.
|
|
2017
|
669 |
C |
p. 150-155
6 p.
|
artikel
|
| 17 |
High pressure infrared spectroscopy study on C60∗CS2 solvates
|
Du, Mingrun
|
|
2017
|
669 |
C |
p. 49-53
5 p.
|
artikel
|
| 18 |
How to characterize thermal transport capability of 2D materials fairly? – Sheet thermal conductance and the choice of thickness
|
Wu, Xufei
|
|
2017
|
669 |
C |
p. 233-237
5 p.
|
artikel
|
| 19 |
Hydrogen adsorption on Be, Mg, Ca and Sr doped graphenes: The role of the dopant in the IIA main group
|
Luo, Huijuan
|
|
2017
|
669 |
C |
p. 238-244
7 p.
|
artikel
|
| 20 |
Incorporation of quaternary ammonium salts containing different counterions to improve the performance of inverted perovskite solar cells
|
Yan, Po-Ruei
|
|
2017
|
669 |
C |
p. 143-149
7 p.
|
artikel
|
| 21 |
Interactions of hypericin with a model mutagen – Acridine orange analyzed by light absorption and fluorescence spectroscopy
|
Pietrzak, Monika
|
|
2017
|
669 |
C |
p. 85-91
7 p.
|
artikel
|
| 22 |
Laser-induced fluorescence spectroscopy of TaN in free-jet: Observation of high-lying excited electronic states
|
Nakhate, S.G.
|
|
2017
|
669 |
C |
p. 38-42
5 p.
|
artikel
|
| 23 |
Mechanistic study of hemicucurbit[6]uril formation by step-growth oligomerization and end-to-end cyclization
|
Yoo, In Kee
|
|
2017
|
669 |
C |
p. 92-98
7 p.
|
artikel
|
| 24 |
Microwave synthesis of non-crystalline BCNO phosphors using thiourea as nitrogen source and their tunable luminescence
|
Chen, Jingjing
|
|
2017
|
669 |
C |
p. 171-175
5 p.
|
artikel
|
| 25 |
Molecular dynamics study on core-shell structure stability of aluminum encapsulated by nano-carbon materials
|
Yi, Qingwen
|
|
2017
|
669 |
C |
p. 192-195
4 p.
|
artikel
|
| 26 |
Non-Born-Oppenheimer calculations of the rovibrational spectrum of H2 excited to the second rotational level
|
Jones, Keith
|
|
2017
|
669 |
C |
p. 188-191
4 p.
|
artikel
|
| 27 |
Photoluminescence dynamics in singlet fission chromophore liquid melts
|
Piland, Geoffrey B.
|
|
2017
|
669 |
C |
p. 99-103
5 p.
|
artikel
|
| 28 |
Physiochemical charge stabilization of silver nanoparticles and its antibacterial applications
|
Vanitha, G.
|
|
2017
|
669 |
C |
p. 71-79
9 p.
|
artikel
|
| 29 |
Polyoxomolybdate formation – A thermodynamic analysis from density functional/PCM calculations
|
Steffler, Fernando
|
|
2017
|
669 |
C |
p. 104-109
6 p.
|
artikel
|
| 30 |
Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex
|
Kunnus, K.
|
|
2017
|
669 |
C |
p. 196-201
6 p.
|
artikel
|
| 31 |
Rayleigh-Brillouin scattering in SF6 in the kinetic regime
|
Wang, Yuanqing
|
|
2017
|
669 |
C |
p. 137-142
6 p.
|
artikel
|
| 32 |
Size-controlled synthesis of Cu2O nanoparticles via reaction-diffusion
|
Badr, Layla
|
|
2017
|
669 |
C |
p. 17-21
5 p.
|
artikel
|
| 33 |
Speciation of uranium and doping induced defects in Gd1.98U0.02Zr2O7: Photoluminescence, X-ray photoelectron and positron annihilation lifetime spectroscopy
|
Gupta, Santosh K.
|
|
2017
|
669 |
C |
p. 245-250
6 p.
|
artikel
|
| 34 |
Spontaneous assembly of HSP90 inhibitors at water/octanol interface: A molecular dynamics simulation study
|
Zolghadr, Amin Reza
|
|
2017
|
669 |
C |
p. 130-136
7 p.
|
artikel
|
| 35 |
Studying the effects of the configuration of doped Al atoms on the conductive properties of boron nitride nanotube using density functional theory
|
Tavangar, Zahra
|
|
2017
|
669 |
C |
p. 29-37
9 p.
|
artikel
|
| 36 |
t-C8B2N2: A potential superhard material
|
Wang, Dong
|
|
2017
|
669 |
C |
p. 80-84
5 p.
|
artikel
|
| 37 |
The effect of urea on microstructures of tin dioxide grown on Ti plate and its supercapacitor performance
|
Jinlong, Lv
|
|
2017
|
669 |
C |
p. 161-165
5 p.
|
artikel
|
| 38 |
Theoretical modeling of the absorption spectrum of aqueous riboflavin
|
Zanetti-Polzi, Laura
|
|
2017
|
669 |
C |
p. 119-124
6 p.
|
artikel
|
| 39 |
Theoretical studies on atmospheric chemistry of HFE-245mc and perfluoro-ethyl formate: Reaction with OH radicals, atmospheric fate of alkoxy radical and global warming potential
|
Lily, Makroni
|
|
2017
|
669 |
C |
p. 211-217
7 p.
|
artikel
|
| 40 |
The power of exact conditions in electronic structure theory
|
Bartlett, Rodney J.
|
|
2017
|
669 |
C |
p. 54-70
17 p.
|
artikel
|
| 41 |
Transportation of MHD nanofluid free convection in a porous semi annulus using numerical approach
|
Sheikholeslami, M.
|
|
2017
|
669 |
C |
p. 202-210
9 p.
|
artikel
|
| 42 |
Ultrafast ring-closing reaction dynamics of a photochromic furan-based difurylethene
|
Khodko, A.
|
|
2017
|
669 |
C |
p. 156-160
5 p.
|
artikel
|
Tijdschrift beschrijving