| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio folding of mixed-fold FSD-EY protein using formula-based polarizable hydrogen bond (PHB) charge model
|
Zhang, Dawei
|
|
2017
|
684 |
C |
p. 24-29
|
artikel
|
| 2 |
Acetylcholine molecular arrays enable quantum information processing
|
Tamulis, Arvydas
|
|
2017
|
684 |
C |
p. 39-43
|
artikel
|
| 3 |
A crucial role of fractional occupation numbers of natural orbitals (NOs) in the description of double excitations in response time-dependent NO functional theory
|
Gritsenko, O.V.
|
|
2017
|
684 |
C |
p. 205-207
|
artikel
|
| 4 |
A high temperature kinetic study for the thermal unimolecular decomposition of diethyl carbonate
|
AlAbbad, Mohammed
|
|
2017
|
684 |
C |
p. 390-396
|
artikel
|
| 5 |
An efficient strategy for designing ambipolar organic semiconductor material: Introducing dehydrogenated phosphorus atoms into pentacene core
|
Tang, Xiao-Dan
|
|
2017
|
684 |
C |
p. 402-408
|
artikel
|
| 6 |
Anomeric effect revisited: Perspective from information-theoretic approach in density functional reactivity theory
|
Zhou, Xiayu
|
|
2017
|
684 |
C |
p. 97-102
|
artikel
|
| 7 |
A novel CoS2/reduced graphene oxide/multiwall carbon nanotubes composite as cathode for high performance lithium ion battery
|
Zhu, Xueling
|
|
2017
|
684 |
C |
p. 191-196
|
artikel
|
| 8 |
A structural and theoretical study of the alkylammonium nitrates forefather: Liquid methylammonium nitrate
|
Gontrani, Lorenzo
|
|
2017
|
684 |
C |
p. 304-309
|
artikel
|
| 9 |
A theoretical study on the selective adsorption behavior of dimethyl ether and carbon monoxide on H-FER zeolites
|
Feng, Pei
|
|
2017
|
684 |
C |
p. 279-284
|
artikel
|
| 10 |
Band shift and bandwidth broadening in Raman spectra of CO2 induced by absorption into an imidazolium-based ionic liquid, 1-ethyl-3-methylimidazolium tetrafluoroborate, up to 15MPa
|
Suzuki, Sakitada
|
|
2017
|
684 |
C |
p. 346-350
|
artikel
|
| 11 |
Chains of benzenes with lithium-atom adsorption: Vibrations and spontaneous symmetry breaking
|
Ortiz, Yenni P.
|
|
2017
|
684 |
C |
p. 86-90
|
artikel
|
| 12 |
Complexation of nicotinic acid with first generation poly(amidoamine) dendrimers: A microscopic view from density functional theory
|
Badalkhani-Khamseh, Farideh
|
|
2017
|
684 |
C |
p. 103-112
|
artikel
|
| 13 |
Contents
|
|
|
2017
|
684 |
C |
p. iii-xxi
|
artikel
|
| 14 |
Controlled optical properties via chemical composition tuning in molybdenum-incorporated β-Ga2O3 nanocrystalline films
|
Battu, Anil K.
|
|
2017
|
684 |
C |
p. 363-367
|
artikel
|
| 15 |
Correlation between structural, magnetic and electric properties of La0.5Ca0.3Te0.2MnO3 sample synthesis by sol-gel method
|
Smari, M.
|
|
2017
|
684 |
C |
p. 72-78
|
artikel
|
| 16 |
Cross sections for electron collision with fluoroacetylene: A comparative study with acetylene and difluoroacetylene along with fluorination
|
Gupta, Dhanoj
|
|
2017
|
684 |
C |
p. 333-338
|
artikel
|
| 17 |
Dark field microscopic analysis of discrete Au nanostructures: Understanding the correlation of scattering with stoichiometry
|
Wang, Guoqing
|
|
2017
|
684 |
C |
p. 310-315
|
artikel
|
| 18 |
Defects control in the synthesis of low-dimensional zinc oxide
|
Takaki, Hidetaka
|
|
2017
|
684 |
C |
p. 113-116
|
artikel
|
| 19 |
Describing the anisotropic 133Cs solid state NMR interactions in cesium chromate
|
Czernek, Jiří
|
|
2017
|
684 |
C |
p. 8-13
|
artikel
|
| 20 |
Design of catalysts by different substituent groups to the “cut g-C3N4” single layer
|
Xu, Weiwei
|
|
2017
|
684 |
C |
p. 414-422
|
artikel
|
| 21 |
Determination of exchange ratios in NMR and NQR spectroscopy from the 1D – relaxation dependences for the T2 – relaxation times
|
Sinyavsky, N.Ya.
|
|
2017
|
684 |
C |
p. 186-190
|
artikel
|
| 22 |
Diels-Alder reactions onto fluorinated and hydrogenated graphene
|
Denis, Pablo A.
|
|
2017
|
684 |
C |
p. 79-85
|
artikel
|
| 23 |
Dissipative particle dynamics (DPD) simulations with fragment molecular orbital (FMO) based effective parameters for 1-Palmitoyl-2-oleoyl phosphatidyl choline (POPC) membrane
|
Doi, Hideo
|
|
2017
|
684 |
C |
p. 427-432
|
artikel
|
| 24 |
Domination of thermodynamically demanding oxidative processes in reaction of iodine with hydrogen peroxide
|
Stevanović, Kristina Z.
|
|
2017
|
684 |
C |
p. 257-261
|
artikel
|
| 25 |
Editorial Board
|
|
|
2017
|
684 |
C |
p. IFC
|
artikel
|
| 26 |
Effect of three pluronic polymers on the transport of an organic cation across a POPG bilayer studied by Second Harmonic spectroscopy
|
Kintali, S.R.
|
|
2017
|
684 |
C |
p. 267-272
|
artikel
|
| 27 |
Energy decomposition analysis of the interactions in adduct ions of acetophenone and Na+, NH4 + and H+ in the gas phase
|
Sugimura, Natsuhiko
|
|
2017
|
684 |
C |
p. 20-23
|
artikel
|
| 28 |
Enhancing the stability of silicon nanosheets electrodes by fluoroethylene carbonate
|
Park, Jeong Min
|
|
2017
|
684 |
C |
p. 383-389
|
artikel
|
| 29 |
Exploration of complexes of 18-crown-6 with three similarly substituted imidazolium, pyridinium and pyrrolidinium ionic liquids
|
Saha, Subhadeep
|
|
2017
|
684 |
C |
p. 44-52
|
artikel
|
| 30 |
Facile fabrication of dual emissive nanospheres via the self-assembling of CdSe@CdS and zinc phthalocyanine and their application for silver ion detection
|
Liu, Shuning
|
|
2017
|
684 |
C |
p. 321-327
|
artikel
|
| 31 |
Facile, quick and selective visible-light sensing of phenol-containing drug molecules acetaminophen and biosol by use of interfacial charge-transfer transitions with TiO2 nanoparticles
|
Fujisawa, Jun-ichi
|
|
2017
|
684 |
C |
p. 328-332
|
artikel
|
| 32 |
Field-induced stress response of nematics encapsulated in microsized volumes
|
Zakharov, A.V.
|
|
2017
|
684 |
C |
p. 212-218
|
artikel
|
| 33 |
Fifty years of Chemical Physics Letters
|
Buckingham, A. David
|
|
2017
|
684 |
C |
p. 443-445
|
artikel
|
| 34 |
First-principles study on surface properties of t-LiFeSO4F: Showing a potential way to enhance electronic conductivity
|
Xie, Weina
|
|
2017
|
684 |
C |
p. 177-185
|
artikel
|
| 35 |
Heterogeneous nucleation and dendritic growth within undercooled liquid niobium under electrostatic levitation condition
|
Yang, S.J.
|
|
2017
|
684 |
C |
p. 316-320
|
artikel
|
| 36 |
High-resolution infrared fingerprints of carbon-sulfur clusters: The ν 1 band of C5S
|
Thorwirth, S.
|
|
2017
|
684 |
C |
p. 262-266
|
artikel
|
| 37 |
Infrared spectroscopic evidence for the initial step of dissociation of the stable benzoic acid cyclic dimer with microsolvation by a single water molecule
|
Katada, Marusu
|
|
2017
|
684 |
C |
p. 368-372
|
artikel
|
| 38 |
Insights into the reduction of 4-nitrophenol to 4-aminophenol on catalysts
|
Kong, Xiangkai
|
|
2017
|
684 |
C |
p. 148-152
|
artikel
|
| 39 |
Interaction of aromatic molecules with small gold clusters
|
Molina, Luis M.
|
|
2017
|
684 |
C |
p. 91-96
|
artikel
|
| 40 |
Investigation of magnetic field effects on binding energies in spherical quantum dot with finite confinement potential
|
Çakır, Bekir
|
|
2017
|
684 |
C |
p. 250-256
|
artikel
|
| 41 |
Ionic dissociation dynamics and energetics of hexamethyldigermanium, (CH3)6Ge2, by threshold photoelectron-photoion coincidence spectroscopy
|
Dávalos, Juan Z.
|
|
2017
|
684 |
C |
p. 298-303
|
artikel
|
| 42 |
Light absorption and photoluminescence due to interfacial charge-transfer transitions in aromatic amine-functionalized silicon nanoparticles
|
Fujisawa, Jun-ichi
|
|
2017
|
684 |
C |
p. 285-289
|
artikel
|
| 43 |
Low-temperature fabrication of 3D drilled graphene sheets hydrogel for supercapacitors with ultralong cycle life
|
Qiu, Zenghui
|
|
2017
|
684 |
C |
p. 290-297
|
artikel
|
| 44 |
Mechanistic elucidation of the origins of the hydrogen-abstraction reactivity of hydroxyimide organocatalysts and its application in catalyst design
|
Chen, Kexian
|
|
2017
|
684 |
C |
p. 225-232
|
artikel
|
| 45 |
Metallic modification of molybdenum disulfide monolayer via doping charge carriers: A DFT investigation
|
Shekaari, Ashkan
|
|
2017
|
684 |
C |
p. 158-163
|
artikel
|
| 46 |
Microstructure and electrochemical properties of polyacrylonitrile-based carbon micro- and nanofibers fabricated by centrifugal spinning
|
Zhao, Hang
|
|
2017
|
684 |
C |
p. 14-19
|
artikel
|
| 47 |
Non-planar distortion of terrylene molecules in a naphthalene crystal
|
Deperasińska, Irena
|
|
2017
|
684 |
C |
p. 208-211
|
artikel
|
| 48 |
On the opposite-spin to same-spin ratio of absolute and interaction MP2 correlation energy in parameter-free spin-opposite-scaled double hybrids
|
Alipour, Mojtaba
|
|
2017
|
684 |
C |
p. 423-426
|
artikel
|
| 49 |
Photoluminescence decay dynamics in γ-Ga2O3 nanocrystals: The role of exclusion distance at short time scales
|
Fernandes, Brian
|
|
2017
|
684 |
C |
p. 135-140
|
artikel
|
| 50 |
Preparation of NiO-CuO-MgO fine powders by ultrasonic spray pyrolysis for carbon nanofibers synthesis
|
Krasnikova, Irina V.
|
|
2017
|
684 |
C |
p. 36-38
|
artikel
|
| 51 |
Protonation-dependent base flipping in the catalytic triad of a small RNA
|
Sun, Zhaoxi
|
|
2017
|
684 |
C |
p. 239-244
|
artikel
|
| 52 |
Rate constants of the reaction of C2–C4 peroxy radicals with OH radicals
|
Assaf, Emmanuel
|
|
2017
|
684 |
C |
p. 245-249
|
artikel
|
| 53 |
Resonance-enhanced multiphoton ionization (REMPI) spectroscopy of p–chlorofluorobenzene
|
Tuttle, William D.
|
|
2017
|
684 |
C |
p. 339-345
|
artikel
|
| 54 |
Scavenging of superoxide radical anion and hydroxyl radical by urea, thiourea, selenourea and their derivatives without any catalyst: A theoretical study
|
Prasad, Ajit Kumar
|
|
2017
|
684 |
C |
p. 197-204
|
artikel
|
| 55 |
SERS polarization dependence of Ag nanorice dimer on metal and dielectric film
|
Zang, Yuying
|
|
2017
|
684 |
C |
p. 373-377
|
artikel
|
| 56 |
Size-dependent adsorption sites in a Prussian blue nanoparticle: A 3D-RISM study
|
Ruankaew, Nirun
|
|
2017
|
684 |
C |
p. 117-125
|
artikel
|
| 57 |
Spectral lineshapes of collision-induced absorption (CIA) using isotropic intermolecular potential for mixtures of molecular hydrogen with helium
|
El-Kader, M.S.A.
|
|
2017
|
684 |
C |
p. 141-147
|
artikel
|
| 58 |
Structure and magnetic properties of electrodeposited CoPtP/Pt multilayer nanowires
|
Agarwal, Shivani
|
|
2017
|
684 |
C |
p. 378-382
|
artikel
|
| 59 |
Superhalogen properties of hetero-binuclear anions MM′F4 − and MM″F5 − (M=Li, Na, M′=Be, Mg, Ca; M″=B, Al, Ga)
|
Yang, Hui
|
|
2017
|
684 |
C |
p. 273-278
|
artikel
|
| 60 |
Ternary carbon composite films for supercapacitor applications
|
Tran, Minh-Hai
|
|
2017
|
684 |
C |
p. 1-7
|
artikel
|
| 61 |
The effect of flow rate on the oscillatory activation energy of an oscillating reaction
|
Monteiro, Emily V.
|
|
2017
|
684 |
C |
p. 219-224
|
artikel
|
| 62 |
The high-resolution infrared spectrum of the ν 3 + ν 5 combination band of jet-cooled propyne
|
Doney, K.D.
|
|
2017
|
684 |
C |
p. 351-356
|
artikel
|
| 63 |
The Jones-Ray effect reinterpreted: Surface tension minima of low ionic strength electrolyte solutions are caused by electric field induced water-water correlations
|
Okur, H.I.
|
|
2017
|
684 |
C |
p. 433-442
|
artikel
|
| 64 |
Theoretical analysis of CO interaction with second-row dicarbides C2X (X = Na-Cl)
|
Parida, Saroj K.
|
|
2017
|
684 |
C |
p. 153-157
|
artikel
|
| 65 |
Theoretical study on electronic and vibrational properties of hydrogen bonds in glycine-water clusters
|
Shi, Yulei
|
|
2017
|
684 |
C |
p. 53-59
|
artikel
|
| 66 |
The T-shaped KrI2(ion-pair states) van der Waals complexes
|
Baturo, V.V.
|
|
2017
|
684 |
C |
p. 357-362
|
artikel
|
| 67 |
Threshold behavior in metastable dissociation of multi-photon ionized thymine and uracil
|
Pandey, R.
|
|
2017
|
684 |
C |
p. 233-238
|
artikel
|
| 68 |
Time-resolved photoelectron spectroscopy of polyatomic molecules using 42-nm vacuum ultraviolet laser based on high harmonics generation
|
Nishitani, Junichi
|
|
2017
|
684 |
C |
p. 397-401
|
artikel
|
| 69 |
TiO2 and F-TiO2 photocatalytic deactivation in gas phase
|
El-Alami, W.
|
|
2017
|
684 |
C |
p. 164-170
|
artikel
|
| 70 |
Toward better understanding of the support effect: Test cases for CO dissociation on Fen/TiO2(110), n=4, 5
|
Jedidi, Abdesslem
|
|
2017
|
684 |
C |
p. 30-35
|
artikel
|
| 71 |
Two-photon absorption and two-photon circular dichroism of l-tryptophan in the near to far UV region
|
Vesga, Yuly
|
|
2017
|
684 |
C |
p. 67-71
|
artikel
|
| 72 |
Vibrational relaxation of S2(a1Δg) by collisions with SF6 and CF4
|
Tendo, Shogo
|
|
2017
|
684 |
C |
p. 171-176
|
artikel
|
| 73 |
Visible light induced photocatalytic degradation of methylene blue and rhodamine B from the catalyst of CdS nanowire
|
Ganesh, R. Sankar
|
|
2017
|
684 |
C |
p. 126-134
|
artikel
|
| 74 |
Wavelength-tunable photoluminescence of ZnSe quantum dot micelles synthesized by femtosecond laser ablation in microfluidics
|
Yang, Chao
|
|
2017
|
684 |
C |
p. 409-413
|
artikel
|
| 75 |
Weakening of SiSi bonding in exohydrogenated Si60 nanoclusters
|
Bainglass, Edan
|
|
2017
|
684 |
C |
p. 60-66
|
artikel
|
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