| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A case of a single water molecule accelerating the atmospheric reactions of hydroxyl radical at temperatures near 200K
|
Kaur, Ramanpreet
|
|
2017
|
685 |
C |
p. 270-274
|
artikel
|
| 2 |
A DFT investigation on geometry and chemical bonding of isoelectronic Si8N6V−, Si8N6Cr, and Si8N6Mn+ clusters
|
Tam, Nguyen Minh
|
|
2017
|
685 |
C |
p. 410-415
|
artikel
|
| 3 |
Adsorption of chloroform on N-doped and Al-doped graphene: A first-principle study
|
Tian, Y.L.
|
|
2017
|
685 |
C |
p. 344-348
|
artikel
|
| 4 |
Ag-protein plasmonic architectures for surface plasmon-coupled emission enhancements and Fabry-Perot mode-coupled directional fluorescence emission
|
Badiya, Pradeep Kumar
|
|
2017
|
685 |
C |
p. 139-145
|
artikel
|
| 5 |
A highly stable electrochemiluminescence sensing system of cadmium sulfide nanowires/graphene hybrid for supersensitive detection of pentachlorophenol
|
Deng, Yanan
|
|
2017
|
685 |
C |
p. 157-164
|
artikel
|
| 6 |
Analytical nuclear derivatives for the parametric two-electron reduced density matrix method
|
Valentine, Andrew J.S.
|
|
2017
|
685 |
C |
p. 300-304
|
artikel
|
| 7 |
An automated and efficient conformation search of l-cysteine and l,l-cystine using the scaled hypersphere search method
|
Kishimoto, Naoki
|
|
2017
|
685 |
C |
p. 69-76
|
artikel
|
| 8 |
An electrochemical immunosensor based on pristine graphene for rapid determination of ractopamine
|
Qi, Shaopeng
|
|
2017
|
685 |
C |
p. 146-150
|
artikel
|
| 9 |
A new potential energy surface and microwave and infrared spectra of the Kr–D2O complex
|
Wang, Zhongquan
|
|
2017
|
685 |
C |
p. 9-15
|
artikel
|
| 10 |
An improved experimental scheme for simultaneous measurement of high-resolution zero electron kinetic energy (ZEKE) photoelectron and threshold photoion (MATI) spectra
|
Michels, François
|
|
2017
|
685 |
C |
p. 477-481
|
artikel
|
| 11 |
An optical investigation of nano-crystalline CaF2 particles doped with Nd3+ ions
|
O'Dwyer, C.
|
|
2017
|
685 |
C |
p. 217-221
|
artikel
|
| 12 |
A practical law to predict the appearance sizes of multiply charged rare-gas and molecular clusters
|
Bonhommeau, David A.
|
|
2017
|
685 |
C |
p. 275-281
|
artikel
|
| 13 |
A QM/MM study to investigate selectivity of nanoporous graphene membrane for arsenate and chromate removal from water
|
Riyaz, Mohd
|
|
2017
|
685 |
C |
p. 371-376
|
artikel
|
| 14 |
Benzene adsorption on two-dimensional silica films – Benzene on silicatene
|
Nayakasinghe, M.T.
|
|
2017
|
685 |
C |
p. 490-495
|
artikel
|
| 15 |
Beryllium and boron decoration form planar tetracoordinate carbon strips at the edge of BCN nanoribbons result in energy gap opposite variation and third-order nonlinear optical response improvement
|
Zhang, Minyi
|
|
2017
|
685 |
C |
p. 432-437
|
artikel
|
| 16 |
Chemical etching of copper foils for single-layer graphene growth by chemical vapor deposition
|
Yoshihara, Naoki
|
|
2017
|
685 |
C |
p. 40-46
|
artikel
|
| 17 |
Combined effects of dopants and electric field on interactions of dopamine with graphene
|
Wang, Qun
|
|
2017
|
685 |
C |
p. 385-394
|
artikel
|
| 18 |
Comparative study of conduction-band and valence-band edges of TiO2, SrTiO3, and BaTiO3 by ionization potential measurements
|
Fujisawa, Jun-ichi
|
|
2017
|
685 |
C |
p. 23-26
|
artikel
|
| 19 |
Computational search for aflatoxin binding proteins
|
Wang, Ying
|
|
2017
|
685 |
C |
p. 1-8
|
artikel
|
| 20 |
Contents
|
|
|
2017
|
685 |
C |
p. iii-xxii
|
artikel
|
| 21 |
Diels-Alder addition to H2O@C60 an electronic and structural study
|
Reveles, J. Ulises
|
|
2017
|
685 |
C |
p. 198-204
|
artikel
|
| 22 |
Dimeric configurations of atomic hydrogen adsorbed on a monolayer hexagonal boron nitride
|
Shi, Jianzhang
|
|
2017
|
685 |
C |
p. 171-176
|
artikel
|
| 23 |
Dissipative particle dynamics simulation on the self-assembly and disassembly of pH-sensitive polymeric micelle with coating repair agent
|
Wang, Xiumin
|
|
2017
|
685 |
C |
p. 328-337
|
artikel
|
| 24 |
Dissociative ionization of CH2Br2 in 800 and 400nm femtosecond laser fields
|
Zhang, Jian
|
|
2017
|
685 |
C |
p. 151-156
|
artikel
|
| 25 |
Editorial Board
|
|
|
2017
|
685 |
C |
p. IFC
|
artikel
|
| 26 |
Effect of shape of protrusions and roughness on the hydrophilicity of a surface
|
Chowdhury, Sheelan Sengupta
|
|
2017
|
685 |
C |
p. 34-39
|
artikel
|
| 27 |
Electronic and magnetic properties of zigzag C2N-h2D nanoribbons: Edge and width effects
|
Yu, H.L.
|
|
2017
|
685 |
C |
p. 363-370
|
artikel
|
| 28 |
Energetics of the contact minimum configuration of two hard spheres in water
|
Graziano, Giuseppe
|
|
2017
|
685 |
C |
p. 54-59
|
artikel
|
| 29 |
Estimation of thermodynamic parameters for Au- and Mg-based metallic glasses
|
Gaur, Jitendra
|
|
2017
|
685 |
C |
p. 244-250
|
artikel
|
| 30 |
Exploiting sparsity in free energy basin-hopping
|
Sutherland-Cash, Kyle H.
|
|
2017
|
685 |
C |
p. 288-293
|
artikel
|
| 31 |
Exploring the geometrical and optical properties of neutral rhenium (I) tricarbonyl complex of 1,10-phenanthroline-5,6-diol using relativistic methods
|
Carreño, Alexander
|
|
2017
|
685 |
C |
p. 354-362
|
artikel
|
| 32 |
First-principles prediction of a novel cadmium disulfide monolayer (penta-CdS2): Indirect to direct band gap transition by strain engineering
|
Naseri, Mosayeb
|
|
2017
|
685 |
C |
p. 310-315
|
artikel
|
| 33 |
General form of intramolecular nuclear spin isomers mixing in C 3 v -symmetry
|
Il’ichov, L.V.
|
|
2017
|
685 |
C |
p. 305-309
|
artikel
|
| 34 |
Graphite oxide and molybdenum disulfide composite for hydrogen evolution reaction
|
Niyitanga, Theophile
|
|
2017
|
685 |
C |
p. 451-456
|
artikel
|
| 35 |
Growth mechanism, dielectric, elastic and thermal properties of zinc cadmium thiocyanate crystal as a potential piezoelectric crystal
|
Lü, Yadong
|
|
2017
|
685 |
C |
p. 401-409
|
artikel
|
| 36 |
Halogen bonding with carbene bases
|
Del Bene, Janet E.
|
|
2017
|
685 |
C |
p. 338-343
|
artikel
|
| 37 |
Hybrid visible-light responsive Al2O3 particles
|
Ðorđević, Vesna
|
|
2017
|
685 |
C |
p. 416-421
|
artikel
|
| 38 |
Impact of CH3NH3PbI3-PCBM bulk heterojunction active layer on the photovoltaic performance of perovskite solar cells
|
Chaudhary, Dhirendra K.
|
|
2017
|
685 |
C |
p. 210-216
|
artikel
|
| 39 |
Importance of the ligand basis set in ab initio thermochemical calculations of transition metal species
|
Plascencia, Cesar
|
|
2017
|
685 |
C |
p. 496-503
|
artikel
|
| 40 |
Indications of hard-soft-acid-base interactions governing formation of ultra-small (r<3nm) digestively ripened copper oxide quantum-dots
|
Talluri, Bhusankar
|
|
2017
|
685 |
C |
p. 84-88
|
artikel
|
| 41 |
Influence of endohedral confinement of atoms on structural and dynamical properties of the C60 fullerene
|
Etindele, A.J.
|
|
2017
|
685 |
C |
p. 395-400
|
artikel
|
| 42 |
Insights into the all-metal [Sb3Au3Sb3]3− sandwich complex from a QTAIM and stress tensor analysis
|
Wang, Lingling
|
|
2017
|
685 |
C |
p. 127-132
|
artikel
|
| 43 |
In situ fabrication of nickel based oxide on nitrogen-doped graphene for high electrochemical performance supercapacitors
|
Pan, Denghui
|
|
2017
|
685 |
C |
p. 457-464
|
artikel
|
| 44 |
Interaction between polymer-coated carbon nanotubes with coarse-grained computations
|
Vo, Minh D.
|
|
2017
|
685 |
C |
p. 77-83
|
artikel
|
| 45 |
Interference effects in electron scattering from small water clusters
|
Verkhovtsev, Alexey
|
|
2017
|
685 |
C |
p. 504-510
|
artikel
|
| 46 |
Investigation of electronic band structure and charge transfer mechanism of oxidized three-dimensional graphene as metal-free anodes material for dye sensitized solar cell application
|
Loeblein, Manuela
|
|
2017
|
685 |
C |
p. 442-450
|
artikel
|
| 47 |
Isomerization of the RPSB chromophore in the gas phase along the torsional pathways using QTAIM
|
Ping, Yang
|
|
2017
|
685 |
C |
p. 222-228
|
artikel
|
| 48 |
Kinetics and mechanism of the reaction of recombination of vinyl and hydroxyl radicals
|
Knyazev, Vadim D.
|
|
2017
|
685 |
C |
p. 165-170
|
artikel
|
| 49 |
Magnetic and electronic properties of double perovskite Lu2MnCoO6: Ab-initio calculations and Monte Carlo simulation
|
Sidi Ahmed, S.
|
|
2017
|
685 |
C |
p. 191-197
|
artikel
|
| 50 |
Magnetoelastic properties of terbium substituted cobalt ferrite
|
Bhame, Shekhar D.
|
|
2017
|
685 |
C |
p. 465-469
|
artikel
|
| 51 |
Mean field treatment of heterogeneous steady state kinetics
|
Geva, Nadav
|
|
2017
|
685 |
C |
p. 185-190
|
artikel
|
| 52 |
Mechanism of translational jump of a hydrophobic solute in supercooled water: Importance of presolvation
|
Indra, Sandipa
|
|
2017
|
685 |
C |
p. 322-327
|
artikel
|
| 53 |
Molecular dynamics study on mechanism of preformed particle gel transporting through nanopores: Surface chemistry and heterogeneity
|
Cui, Peng
|
|
2017
|
685 |
C |
p. 294-299
|
artikel
|
| 54 |
Novel surface adsorption behavior of liquid at the air-liquid interface
|
Chen, Feiwu
|
|
2017
|
685 |
C |
p. 438-441
|
artikel
|
| 55 |
Observation of temperature-dependent kinetics for catalytic CO oxidation over TiO2-supported Pt catalysts
|
Yu, Xiaomei
|
|
2017
|
685 |
C |
p. 282-287
|
artikel
|
| 56 |
OH-functionalization strategy in Metal-Organic Frameworks for drug delivery
|
Kotzabasaki, Marianna
|
|
2017
|
685 |
C |
p. 114-118
|
artikel
|
| 57 |
One-step synthesis of nitrogen-doped carbon nanofibers from melamine over nickel alloy in a closed system
|
Kenzhin, Roman M.
|
|
2017
|
685 |
C |
p. 259-262
|
artikel
|
| 58 |
On the role of different types of electron in double ring tubular clusters
|
Duong, Long Van
|
|
2017
|
685 |
C |
p. 377-384
|
artikel
|
| 59 |
Phosphorene quantum dot-fullerene nanocomposites for solar energy conversion: An unexplored inorganic-organic nanohybrid with novel photovoltaic properties
|
Rajbanshi, Biplab
|
|
2017
|
685 |
C |
p. 16-22
|
artikel
|
| 60 |
Preparation of TiO2/Ag binary nanocomposite as high-activity visible-light-driven photocatalyst via graft polymerization
|
Tae Park, Jung
|
|
2017
|
685 |
C |
p. 119-126
|
artikel
|
| 61 |
Proposal for novel curcumin derivatives as potent inhibitors against Alzheimer’s disease: Ab initio molecular simulations on the specific interactions between amyloid-beta peptide and curcumin
|
Ota, Shintaro
|
|
2017
|
685 |
C |
p. 482-489
|
artikel
|
| 62 |
Protonic charge defect structures in floating water bridges observed as Zundel and Eigen solvation arrangements
|
Teschke, Omar
|
|
2017
|
685 |
C |
p. 239-243
|
artikel
|
| 63 |
Quantum stereodynamics of the 18 O + 16 O 16 O → 16 O 18 O + 16 O exchange reaction at low collision energy
|
Privat, Erwan
|
|
2017
|
685 |
C |
p. 427-431
|
artikel
|
| 64 |
Reaction-mediated entropic effect on phase separation in a binary polymer system
|
Sun, Shujun
|
|
2017
|
685 |
C |
p. 263-269
|
artikel
|
| 65 |
Solvent dependence of cyanoindole fluorescence lifetime
|
Hilaire, Mary Rose
|
|
2017
|
685 |
C |
p. 133-138
|
artikel
|
| 66 |
Spherical electric double layers containing mixed electrolytes: A case study for multivalent counterions
|
Patra, Chandra N.
|
|
2017
|
685 |
C |
p. 470-476
|
artikel
|
| 67 |
Strengthening of hydrogen bonding with the push-pull effect
|
Tao, Yunwen
|
|
2017
|
685 |
C |
p. 251-258
|
artikel
|
| 68 |
Study of the dynamics and isotopic effects in the D+MgD reaction using the quasi-classical trajectory method
|
Huang, Zhuoyao
|
|
2017
|
685 |
C |
p. 229-238
|
artikel
|
| 69 |
Super-spiral structures of bi-stable spiral waves and a new instability of spiral waves
|
Gao, Jian
|
|
2017
|
685 |
C |
p. 205-209
|
artikel
|
| 70 |
Synthesis and luminescent properties of Eu3+, Eu3+/Bi3+ and Gd3+ codoped YAG:Ce3+ phosphors and their potential applications in warm white light-emitting diodes
|
Yang, Yuguo
|
|
2017
|
685 |
C |
p. 89-94
|
artikel
|
| 71 |
Synthesis, electronic structure and luminescent properties of a new red-emitting phosphor GdBiW2O9:Eu3+
|
Xie, Zhi
|
|
2017
|
685 |
C |
p. 177-184
|
artikel
|
| 72 |
The characterisation of the “X” crystal structure in the Stillinger-Weber potential
|
Fijan, Domagoj
|
|
2017
|
685 |
C |
p. 316-321
|
artikel
|
| 73 |
The effects of Co/N dopants on the electronic, redox potential, optical, and photocatalytic water-splitting properties of TiO2: First principles calculations
|
Zhao, Yafei
|
|
2017
|
685 |
C |
p. 108-113
|
artikel
|
| 74 |
The influence of metastable molecular nitrogen N2(A3Σu +) on the electronic kinetics of CO molecules
|
Kirillov, A.S.
|
|
2017
|
685 |
C |
p. 95-102
|
artikel
|
| 75 |
The origin of phosphorescence in Iridium (III) complexes. The role of relativistic effects
|
Cantero-López, Plinio
|
|
2017
|
685 |
C |
p. 60-68
|
artikel
|
| 76 |
Thermal boundary resistance between the polycrystalline graphene and the amorphous SiO2 substrate
|
Li, Ting
|
|
2017
|
685 |
C |
p. 349-353
|
artikel
|
| 77 |
Triiodide and mixed tri-halide anions from negative ion electrospray ionization of alkali halide solutions
|
Shukla, Anil
|
|
2017
|
685 |
C |
p. 47-53
|
artikel
|
| 78 |
Understanding the liquid–liquid (water–hexane) interface
|
Murad, Sohail
|
|
2017
|
685 |
C |
p. 422-426
|
artikel
|
| 79 |
Versatile gold based SERS substrates fabricated by ultrafast laser ablation for sensing picric acid and ammonium nitrate
|
Byram, Chandu
|
|
2017
|
685 |
C |
p. 103-107
|
artikel
|
| 80 |
Wetting kinetics of nanodroplets on lyophilic nanopillar-arrayed surfaces: A molecular dynamics study
|
Zong, Diyuan
|
|
2017
|
685 |
C |
p. 27-33
|
artikel
|
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