| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A DFT study on the catalytic hydrogenation of CO2 to formic acid over Ti-doped graphene nanoflake
|
Esrafili, Mehdi D.
|
|
2017
|
682 |
C |
p. 49-54
|
artikel
|
| 2 |
A molecular simulation study of the auto-protolysis of ammonia as a function of temperature
|
Zahn, Dirk
|
|
2017
|
682 |
C |
p. 55-59
|
artikel
|
| 3 |
An approach to the averaged intermolecular potential field of methane from viscosity
|
Zhang, Ailian
|
|
2017
|
682 |
C |
p. 82-86
|
artikel
|
| 4 |
Comparative evaluation of the stability of seven-transmembrane microbial rhodopsins to various physicochemical stimuli
|
Honda, Naoya
|
|
2017
|
682 |
C |
p. 6-14
|
artikel
|
| 5 |
Comparative study of semilocal density functionals on solids and surfaces
|
Mo, Yuxiang
|
|
2017
|
682 |
C |
p. 38-42
|
artikel
|
| 6 |
Contents
|
|
|
2017
|
682 |
C |
p. iii-x
|
artikel
|
| 7 |
D-A dyad and D-A-D triad incorporating triphenylamine, benzanthrone and perylene diimide: Synthesis, electrochemical, linear and nonlinear optical properties
|
Cao, Liu
|
|
2017
|
682 |
C |
p. 133-139
|
artikel
|
| 8 |
Editorial Board
|
|
|
2017
|
682 |
C |
p. IFC
|
artikel
|
| 9 |
Effects of head type on the stability of gemini surfactant foam by molecular dynamics simulation
|
Wu, Gang
|
|
2017
|
682 |
C |
p. 122-127
|
artikel
|
| 10 |
Explicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field
|
Adamowicz, Ludwik
|
|
2017
|
682 |
C |
p. 87-90
|
artikel
|
| 11 |
Exploration of peptides that fit into the thermally vibrating active site of cathepsin K protease by alternating artificial intelligence and molecular simulation
|
Nishiyama, Katsuhiko
|
|
2017
|
682 |
C |
p. 26-29
|
artikel
|
| 12 |
Insight into CH4 formation and chain growth mechanism of Fischer−Tropsch synthesis on θ-Fe3C(031)
|
Wang, Yifan
|
|
2017
|
682 |
C |
p. 115-121
|
artikel
|
| 13 |
Kinetics of gas phase OH radical reaction with thiophene in the 272–353K temperature range: A laser induced fluorescence study
|
Kawade, Monali N.
|
|
2017
|
682 |
C |
p. 154-159
|
artikel
|
| 14 |
Mass spectrometric study of N2-adsorption on copper cluster cations formed by modulated pulsed power magnetron sputtering in aggregation cell
|
Ohshimo, Keijiro
|
|
2017
|
682 |
C |
p. 60-63
|
artikel
|
| 15 |
Metastability of the low-lying electronic states of CBr2+: A CASSCF/MRCI study
|
Lins, Igor Araujo
|
|
2017
|
682 |
C |
p. 108-114
|
artikel
|
| 16 |
Micelles entrapped Cresyl Violet can selectively detect copper and mercury ions in solution: A fluorescence Correlation Spectroscopy investigation
|
Das, Nirmal Kumar
|
|
2017
|
682 |
C |
p. 147-153
|
artikel
|
| 17 |
On the suitability of high vacuum electrospray deposition for the fabrication of molecular electronic devices
|
Temperton, Robert H.
|
|
2017
|
682 |
C |
p. 15-19
|
artikel
|
| 18 |
Part II: Quantum mechanical prediction of heats of adsorption for C2-C4 hydrocarbons in MOF-74-Mg/Zn periodic structures
|
Degaga, Gemechis D.
|
|
2017
|
682 |
C |
p. 168-174
|
artikel
|
| 19 |
Peculiarities of migration and capture of a quantum particle in a chain with traps
|
Christophorov, Leonid N.
|
|
2017
|
682 |
C |
p. 77-81
|
artikel
|
| 20 |
Predicting optimal finite field strengths for calculating the first and second hyperpolarizabilities using simple molecular descriptors
|
Mohammed, Ahmed A.K.
|
|
2017
|
682 |
C |
p. 160-167
|
artikel
|
| 21 |
Preparation and characterization of Ag-doped In2O3 nanoparticles gas sensor
|
Anand, Kanica
|
|
2017
|
682 |
C |
p. 140-146
|
artikel
|
| 22 |
Quantum dot sensitized solar cells: Light harvesting versus charge recombination, a film thickness consideration
|
Wang, Xiu Wei
|
|
2017
|
682 |
C |
p. 71-76
|
artikel
|
| 23 |
Shape similarity of charge-transfer (CT) excitation energy curves in a series of donor-acceptor complexes and its description with a transferable energy of CT orbital
|
Gritsenko, O.V.
|
|
2017
|
682 |
C |
p. 1-5
|
artikel
|
| 24 |
Site symmetry approach in the supercell model of carbon-doped ZnO bulk
|
Evarestov, Robert A.
|
|
2017
|
682 |
C |
p. 91-95
|
artikel
|
| 25 |
Sodium acetate assisted hydrothermal growth of dumbbell-like β -NaGdF4 nanobundles: Morphology control and products transformation
|
Wu, Kelu
|
|
2017
|
682 |
C |
p. 101-107
|
artikel
|
| 26 |
Structural and thermodynamic investigation of pentoxifylline-cyclodextrin inclusion complex
|
Morais, Charles A.S.
|
|
2017
|
682 |
C |
p. 43-48
|
artikel
|
| 27 |
Superalkali@C60−superhalogen: Structure and nonlinear optical properties of a new class of endofullerene complexes
|
Srivastava, Ambrish Kumar
|
|
2017
|
682 |
C |
p. 20-25
|
artikel
|
| 28 |
Synthesis and photoeletrochemical performance of AuAg@CdS double-walled nanotubes
|
Guan, Shundong
|
|
2017
|
682 |
C |
p. 128-132
|
artikel
|
| 29 |
Synthesis of polyynes by intense femtosecond laser irradiation of SWCNTs suspended in methanol
|
Zhao, Junwei
|
|
2017
|
682 |
C |
p. 96-100
|
artikel
|
| 30 |
Three-dimensional nanoporous MoS2 framework decorated with Au nanoparticles for surface-enhanced Raman scattering
|
Sheng, Yingqiang
|
|
2017
|
682 |
C |
p. 64-70
|
artikel
|
| 31 |
Two-color resonant two-photon ionization and mass-analyzed threshold ionization spectroscopy of 4-chlorostyrene
|
Wu, Pei Ying
|
|
2017
|
682 |
C |
p. 34-37
|
artikel
|
| 32 |
Unusual chemical bonding in the beryllium dimer and its twelve vibrational levels
|
Mitin, A.V.
|
|
2017
|
682 |
C |
p. 30-33
|
artikel
|
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