| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A density functional theory investigation on amantadine drug interaction with pristine and B, Al, Si, Ga, Ge doped C60 fullerenes
|
Parlak, Cemal
|
|
2017
|
678 |
C |
p. 85-90
|
artikel
|
| 2 |
A first-principles study of overcrowded alkene-based light-driven rotary molecular motor as a possible optical molecular switch
|
Shao, Lina
|
|
2017
|
678 |
C |
p. 216-221
|
artikel
|
| 3 |
Alloying effect via comparative studies of ethanol dehydrogenation on Cu(111), Cu3Pd(111), and Cu3Pt(111)
|
Wu, Ruitao
|
|
2017
|
678 |
C |
p. 196-202
|
artikel
|
| 4 |
Balance of O2 and H2 content under laser-induced breakdown of aqueous colloidal solutions
|
Barmina, E.V.
|
|
2017
|
678 |
C |
p. 192-195
|
artikel
|
| 5 |
Broadband terahertz dielectric spectroscopy of alcohols
|
Sarkar, Sohini
|
|
2017
|
678 |
C |
p. 65-71
|
artikel
|
| 6 |
Car–Parrinello molecular dynamics study of the melting behaviors of n-atom ( n = 6 , 10 ) graphene quantum dots
|
Shekaari, Ashkan
|
|
2017
|
678 |
C |
p. 177-185
|
artikel
|
| 7 |
Carrier thermoelectric transport model for black phosphorus field-effect transistors
|
Lu, Nianduan
|
|
2017
|
678 |
C |
p. 271-274
|
artikel
|
| 8 |
Characterization of the hydrogen-bond network of water around sucrose and trehalose: H-O-H bending analysis
|
Shiraga, Keiichiro
|
|
2017
|
678 |
C |
p. 59-64
|
artikel
|
| 9 |
Computational evaluation of the remarkable electro-optical responses of the multilithiated pristine and heterosubstituted sumanenes
|
Kazemimoghadam, Fatemeh
|
|
2017
|
678 |
C |
p. 51-58
|
artikel
|
| 10 |
Conformational transition of DNA by dinuclear Pt(II) complexes causes cooperative inhibition of gene expression
|
Shimizu, Yuta
|
|
2017
|
678 |
C |
p. 123-129
|
artikel
|
| 11 |
Contents
|
|
|
2017
|
678 |
C |
p. iii-xiv
|
artikel
|
| 12 |
Cryocoil magic-angle-spinning solid-state nuclear magnetic resonance probe system utilized for sensitivity enhancement in multiple-quantum magic-angle-spinning spectroscopy for a low-γ quadrupolar nucleus of 85Rb
|
Nakai, Toshihito
|
|
2017
|
678 |
C |
p. 265-270
|
artikel
|
| 13 |
CTAB induced emission from water soluble polyarylene ether nitrile carboxylate and selective sensing of Fe (III) ions
|
Wei, Shiliang
|
|
2017
|
678 |
C |
p. 72-78
|
artikel
|
| 14 |
Determination of adiabatic ionization potentials and electron affinities of energetic molecules with the Gaussian-4 method
|
Manaa, M. Riad
|
|
2017
|
678 |
C |
p. 102-106
|
artikel
|
| 15 |
Editorial Board
|
|
|
2017
|
678 |
C |
p. IFC
|
artikel
|
| 16 |
Effect of C60 adducts on the dynamic structure of aromatic solvation shells
|
Peerless, James S.
|
|
2017
|
678 |
C |
p. 79-84
|
artikel
|
| 17 |
Effect of fluoride ion on the stability of DNA hairpin
|
Liu, Chao
|
|
2017
|
678 |
C |
p. 35-39
|
artikel
|
| 18 |
Electrical anharmonicity and dampings contributions to Cl- H → stretching band in gaseous (CH3)2O…HCl complex: Quantum dynamic study and prediction of the temperature effects
|
Rekik, Najeh
|
|
2017
|
678 |
C |
p. 222-232
|
artikel
|
| 19 |
Electronic, optical, and spectroscopic analysis of TBADN organic semiconductor: Experiment and theory
|
Orek, Cahit
|
|
2017
|
678 |
C |
p. 130-138
|
artikel
|
| 20 |
Electronic properties of electron-doped [6,6]-phenyl-C61-butyric acid methyl ester and silylmethylfullerene
|
Furutani, Sho
|
|
2017
|
678 |
C |
p. 5-8
|
artikel
|
| 21 |
Evolution of microstructural defects of TiO2 nanocrystals by Zr4+ or/and Ge4+ doping lead to high disinfection efficiency for CWAs
|
Shen, Zhong
|
|
2017
|
678 |
C |
p. 146-152
|
artikel
|
| 22 |
Experimental study on NO oxidation by K2S2O8 +Fe(II)EDTA
|
Hu, Hui
|
|
2017
|
678 |
C |
p. 23-27
|
artikel
|
| 23 |
Fabrication of silicon nanowires based on-chip micro-supercapacitor
|
Soam, Ankur
|
|
2017
|
678 |
C |
p. 46-50
|
artikel
|
| 24 |
Hydrolysis mechanism of (N, N) chelated cytotoxic Pt/Pd(II)-dichloro complexes: A theoretical approach
|
Mukherjee, Subhajit
|
|
2017
|
678 |
C |
p. 241-249
|
artikel
|
| 25 |
Hydrolysis theory based on density functional studies for cytotoxic Pt(II) and Pd(II) complexes with benzimidazole derivative
|
Mitra, Ishani
|
|
2017
|
678 |
C |
p. 250-258
|
artikel
|
| 26 |
Influence of binding energy on dipole moment, polarizability and self-polarization effect of impurity doped quantum dots: Role of noise
|
Ghosh, Anuja
|
|
2017
|
678 |
C |
p. 119-122
|
artikel
|
| 27 |
Influence of thermocleavable functionality on organic field-effect transistor performance of small molecules
|
Mahale, Rajashree Y.
|
|
2017
|
678 |
C |
p. 139-145
|
artikel
|
| 28 |
Manifestation of T-exciton migration in the kinetics of singlet fission in organic semiconductors
|
Shushin, A.I.
|
|
2017
|
678 |
C |
p. 283-288
|
artikel
|
| 29 |
Molecular dynamics study on oil migration inside silica nanopore
|
Sun, Jichao
|
|
2017
|
678 |
C |
p. 186-191
|
artikel
|
| 30 |
Molecular origin of limiting shear stress of elastohydrodynamic lubrication oil film studied by molecular dynamics
|
Washizu, Hitoshi
|
|
2017
|
678 |
C |
p. 1-4
|
artikel
|
| 31 |
Novel surface diffusion characteristics for a robust pentacene derivative on Au(111) surfaces
|
Miller, Ryan A.
|
|
2017
|
678 |
C |
p. 28-34
|
artikel
|
| 32 |
Optical properties of donor–acceptor conjugated copolymers: A computational study
|
Fradon, Alexis
|
|
2017
|
678 |
C |
p. 9-16
|
artikel
|
| 33 |
Optimization of the spin-component-scaled factor for electron propagator method
|
Lim, Fang-Han
|
|
2017
|
678 |
C |
p. 159-166
|
artikel
|
| 34 |
Quantitative contribution of molecular orbitals to hydrogen bonding in a water dimer: Electron density projected integral (EDPI) analysis
|
Zhang, Zhiyuan
|
|
2017
|
678 |
C |
p. 98-101
|
artikel
|
| 35 |
Resolving H(Cl, Br, I) capabilities of transforming solution hydrogen-bond and surface-stress
|
Zhang, Xi
|
|
2017
|
678 |
C |
p. 233-240
|
artikel
|
| 36 |
Strikingly enhanced cooling performance for a micro-cooler using unique Cu nanowire array with high electrical conductivity and fast heat transfer behavior
|
Tan, Ming
|
|
2017
|
678 |
C |
p. 40-45
|
artikel
|
| 37 |
Structures of surface and interface of amorphous ice
|
Kumagai, Yu
|
|
2017
|
678 |
C |
p. 153-158
|
artikel
|
| 38 |
Surface transition in spin crossover nanoparticles
|
Mikolasek, Mirko
|
|
2017
|
678 |
C |
p. 107-111
|
artikel
|
| 39 |
Synthesis of 3C-SiC nanowires from a graphene/Si configuration obtained by arc discharge method
|
Zhang, Yifan
|
|
2017
|
678 |
C |
p. 17-22
|
artikel
|
| 40 |
The Born-Oppenheimer molecular simulations of infrared spectra of crystalline poly-(R)-3-hydroxybutyrate with analysis of weak CH⋯OC hydrogen bonds
|
Brela, Mateusz Z.
|
|
2017
|
678 |
C |
p. 112-118
|
artikel
|
| 41 |
The competition of densification and structure ordering during crystallization of HCP-Mg in the framework of layering
|
Luo, Jie
|
|
2017
|
678 |
C |
p. 203-211
|
artikel
|
| 42 |
The effect of reduced graphene oxide on MoS2 for the hydrogen evolution reaction in acidic solution
|
Lv, Jinlong
|
|
2017
|
678 |
C |
p. 212-215
|
artikel
|
| 43 |
The evaluation and validation of copper (II) force field parameters of the Auxiliary Activity family 9 enzymes
|
Moses, Vuyani
|
|
2017
|
678 |
C |
p. 91-97
|
artikel
|
| 44 |
The generation of charge carriers in semi conductors – A theoretical study
|
Kiarii, Ephraim M.
|
|
2017
|
678 |
C |
p. 167-176
|
artikel
|
| 45 |
Theoretical study on the anion photoelectron spectra of Ln(COT)2 − including the spin-orbit effects
|
Nakajo, Erika
|
|
2017
|
678 |
C |
p. 259-264
|
artikel
|
| 46 |
Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond
|
Schran, Christoph
|
|
2017
|
678 |
C |
p. 289-295
|
artikel
|
| 47 |
Unusual cooperativity effects between halogen bond and donor-acceptor interactions: The role of orbital interaction
|
Esrafili, Mehdi D.
|
|
2017
|
678 |
C |
p. 275-282
|
artikel
|
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