nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio transition dipole moments and potential energy curves for the low-lying electronic states of CaH
|
Shayesteh, Alireza |
|
2017 |
667 |
C |
p. 345-350 |
artikel |
2 |
Activation of N2 by isolated small tungsten clusters at room temperature
|
Sugawara, Ko-ichi |
|
2017 |
667 |
C |
p. 267-271 |
artikel |
3 |
Adatom-induced local reconstructions in zigzag silicene nanoribbons: Spin semiconducting properties and large spin thermopowers
|
Yang, X.F. |
|
2017 |
667 |
C |
p. 113-119 |
artikel |
4 |
A generalized model on the evaluation of entropy and entropy of mixing of liquid Na-Sn alloys
|
Satpathy, Alok |
|
2017 |
667 |
C |
p. 187-191 |
artikel |
5 |
Alloying of metal nanoparticles by ion-beam induced sputtering
|
Magudapathy, P. |
|
2017 |
667 |
C |
p. 38-44 |
artikel |
6 |
An ab initio study on anionic aerogen bonds
|
Esrafili, Mehdi D. |
|
2017 |
667 |
C |
p. 337-344 |
artikel |
7 |
An automated and efficient conformational search of glycine and a glycine-water heterodimer both in vacuum and in aqueous solution
|
Kishimoto, Naoki |
|
2017 |
667 |
C |
p. 172-179 |
artikel |
8 |
A novel D2-A-D1-A-D2-type donor–acceptor conjugated small molecule based on a benzo[1,2-b:4,5-b′]dithiophene core for solution processed organic photovoltaic cells
|
Yu, Junting |
|
2017 |
667 |
C |
p. 254-259 |
artikel |
9 |
A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems
|
Bennett, M. Chandler |
|
2017 |
667 |
C |
p. 74-78 |
artikel |
10 |
A stress tensor eigenvector projection space for the (H2O)5 potential energy surface
|
Xu, Tianlv |
|
2017 |
667 |
C |
p. 25-31 |
artikel |
11 |
Binding of oxygen with titanium dioxide on singlet potential energy surface: An ab initio investigation
|
Bogdanchikov, Georgii A. |
|
2017 |
667 |
C |
p. 216-219 |
artikel |
12 |
Charge-transfer (CT) orbitals for the one-electron description of CT excitations in a wide range of donor-acceptor separations
|
Gritsenko, O.V. |
|
2017 |
667 |
C |
p. 51-54 |
artikel |
13 |
Colliding the hydrocarbon building blocks of astrochemical polycyclic aromatic hydrocarbons with 8keV He + and H 2 + ions: Luminescence from methane, acetylene, benzene and naphthalene
|
Rashid, Shaan |
|
2017 |
667 |
C |
p. 129-136 |
artikel |
14 |
Computer simulation of a phosphorescent probe inside β -cyclodextrin matrices
|
Odinokov, Alexey |
|
2017 |
667 |
C |
p. 108-112 |
artikel |
15 |
Contents
|
|
|
2017 |
667 |
C |
p. iii-xviii |
artikel |
16 |
Correlation between overcharging peculiarities and the solubility of interpolyelectrolyte complexes
|
Lyulin, Sergey V. |
|
2017 |
667 |
C |
p. 296-300 |
artikel |
17 |
Dissociative photoionization of 1,2-dichloroethane in intense near-infrared femtosecond laser field
|
Zhang, Jian |
|
2017 |
667 |
C |
p. 238-243 |
artikel |
18 |
Dynamics of formation of the Exclusion Zone near hydrophilic surfaces
|
De Ninno, Antonella |
|
2017 |
667 |
C |
p. 322-326 |
artikel |
19 |
Editorial Board
|
|
|
2017 |
667 |
C |
p. IFC |
artikel |
20 |
Effects of finite laser pulse width on two-dimensional electronic spectroscopy
|
Leng, Xuan |
|
2017 |
667 |
C |
p. 79-86 |
artikel |
21 |
Electron binding energies and the fundamental gap of a push-pull dye in a polar environment: p-nitroaniline in liquid water
|
Cabral, Benedito J.C. |
|
2017 |
667 |
C |
p. 332-336 |
artikel |
22 |
Electron transfer through organic molecular wires: A theoretical study
|
Lathiotakis, Nektarios N. |
|
2017 |
667 |
C |
p. 45-50 |
artikel |
23 |
Electron transport in HBr adsorbed boron doped carbon nanotube
|
Srivastava, Reena |
|
2017 |
667 |
C |
p. 199-205 |
artikel |
24 |
Electronuclear paths in the nuclear conversion of molecular hydrogen in silicon
|
Ilisca, Ernest |
|
2017 |
667 |
C |
p. 233-237 |
artikel |
25 |
Estimation of some physical properties for tennessine and tennessine hydride (TsH)
|
de Farias, Robson Fernandes |
|
2017 |
667 |
C |
p. 1-3 |
artikel |
26 |
Exploring optical dielectric function of impurity doped quantum dots under combined influence of hydrostatic pressure and temperature and in presence of noise
|
Bera, Aindrila |
|
2017 |
667 |
C |
p. 103-107 |
artikel |
27 |
Fabrication of “petal effect” surfaces by femtosecond laser-induced forward transfer
|
Li, Hong-Jin |
|
2017 |
667 |
C |
p. 20-24 |
artikel |
28 |
Facile and low-cost fabrication of Ag-Cu substrates via replacement reaction for highly sensitive SERS applications
|
Hu, Litao |
|
2017 |
667 |
C |
p. 351-356 |
artikel |
29 |
First principle study on water protons interacted with gadolinium oxide and gold nanocluster
|
Xia, Xiuli |
|
2017 |
667 |
C |
p. 91-95 |
artikel |
30 |
Heterogeneity in optical properties of near white-light emissive europium complex species revealed by spectroscopy of single nanoaggregates
|
Irfanullah, Mir |
|
2017 |
667 |
C |
p. 247-253 |
artikel |
31 |
Intermolecular interaction effect on the inelastic electron tunneling spectroscopy of bi-octane-monothiol junctions
|
Leng, Jiancai |
|
2017 |
667 |
C |
p. 124-128 |
artikel |
32 |
Investigation of low frequency electrolytic solution behavior with an accurate electrical impedance method
|
Ho, Kung-Chu |
|
2017 |
667 |
C |
p. 120-123 |
artikel |
33 |
Machine learning prediction for classification of outcomes in local minimisation
|
Das, Ritankar |
|
2017 |
667 |
C |
p. 158-164 |
artikel |
34 |
Modulation of organic interfacial spin polarization by interfacial angle
|
Zhang, Zhao |
|
2017 |
667 |
C |
p. 15-19 |
artikel |
35 |
Monodisperse and size-tunable CoO nanocrystals synthesized by thermal decomposition and as an active precursor for Fischer-Tropsch synthesis
|
Lv, Shuai |
|
2017 |
667 |
C |
p. 32-37 |
artikel |
36 |
MWCNT/CdS nanobelt based hybrid structures and their enhanced photoelectrical performance
|
Lee, Dong Jin |
|
2017 |
667 |
C |
p. 68-73 |
artikel |
37 |
α-NaYF4:Yb3+-Tm3+@CaF2 nanocrystals for NIR-to-NIR temperature sensing
|
Wu, Ruozhen |
|
2017 |
667 |
C |
p. 206-210 |
artikel |
38 |
Numerical investigation of nanofluid transportation in a curved cavity in existence of magnetic source
|
Sheikholeslami, Mohsen |
|
2017 |
667 |
C |
p. 307-316 |
artikel |
39 |
Preparation and electrochemical properties of NiO-Co3O4 composite as electrode materials for supercapacitors
|
Wang, X.W. |
|
2017 |
667 |
C |
p. 260-266 |
artikel |
40 |
Quantum-chemical prediction of the effects of Ni-loading on the hydrogenation and water-splitting efficiency of TiO2 nanoparticles with an experimental test
|
Lin, Cheng-Kuo |
|
2017 |
667 |
C |
p. 278-283 |
artikel |
41 |
Quantum chemical prediction of vibrational spectra of large molecular systems with radical or metallic electronic structure
|
Nishimoto, Yoshio |
|
2017 |
667 |
C |
p. 317-321 |
artikel |
42 |
Quantum half-adder Boolean logic gate with a nano-graphene molecule and graphene nano-electrodes
|
Srivastava, Saurabh |
|
2017 |
667 |
C |
p. 301-306 |
artikel |
43 |
Quasiclassical trajectory and wave packet calculations for D+CaCl(X 2Σ+; vi =0, ji =0)→DCl+Ca(1 S) reaction
|
Tan, Rui Shan |
|
2017 |
667 |
C |
p. 180-186 |
artikel |
44 |
Reaction between the Pt(II)-complexes and the amino acids of the β-amyloid peptide
|
Novato, Willian T.G. |
|
2017 |
667 |
C |
p. 4-8 |
artikel |
45 |
Resolving solvophobic interactions inferred from experimental solvation free energies and evaluated from molecular simulations
|
Barnett, J. Wesley |
|
2017 |
667 |
C |
p. 62-67 |
artikel |
46 |
Rotational study of the bimolecule acetic acid-fluoroacetic acid
|
Feng, Gang |
|
2017 |
667 |
C |
p. 154-157 |
artikel |
47 |
Structural flexibility of DABCO. Ab initio and DFT benchmark study
|
Nizovtsev, Anton S. |
|
2017 |
667 |
C |
p. 87-90 |
artikel |
48 |
Structure and optical properties of KLa9(GeO4)6O2 and KLa8.37Eu0.63(GeO4)6O2
|
Lipina, Olga A. |
|
2017 |
667 |
C |
p. 9-14 |
artikel |
49 |
Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur
|
Du, Lin |
|
2017 |
667 |
C |
p. 146-153 |
artikel |
50 |
Synthesis and structural characterization of ZnO and CuO nanoparticles supported mesoporous silica SBA-15
|
El-Nahhal, Issa M. |
|
2017 |
667 |
C |
p. 165-171 |
artikel |
51 |
The Co(II), Ni(II) and Cu(II) complexes with herbicide 2,4-dichlorophenoxyacetic acid – Synthesis and structural studies
|
Drzewiecka-Antonik, Aleksandra |
|
2017 |
667 |
C |
p. 192-198 |
artikel |
52 |
The complex-forming dynamics of Ne+NeH(D)+ (v =0, 1; j =0) reactions
|
Li, Wenliang |
|
2017 |
667 |
C |
p. 96-102 |
artikel |
53 |
The differential virial theorem with gradient- and Laplacian-dependent operator formulas
|
Finley, James P. |
|
2017 |
667 |
C |
p. 244-246 |
artikel |
54 |
Theoretical pKa prediction of the α-phosphate moiety of uridine 5′-diphosphate-GlcNAc
|
Vipperla, Bhavaniprasad |
|
2017 |
667 |
C |
p. 220-225 |
artikel |
55 |
Theoretical prediction of some novel nanotubes composed of macrocyclic structures: A DFT study
|
Masoodi, Hamid Reza |
|
2017 |
667 |
C |
p. 327-331 |
artikel |
56 |
The prospect of sensitizing organic dyes attached to the MoS2 surface: Physical insights from density functional theory investigations
|
Le, Hung M. |
|
2017 |
667 |
C |
p. 290-295 |
artikel |
57 |
Thermal and pump power effect in SrMoO4:Er3+-Yb3+ phosphor for thermometry and optical heating
|
Soni, Abhishek Kumar |
|
2017 |
667 |
C |
p. 226-232 |
artikel |
58 |
Thermal electron attachment to chlorinated alkenes in the gas phase
|
Wnorowski, K. |
|
2017 |
667 |
C |
p. 272-277 |
artikel |
59 |
Thermodynamic properties for the lithium dimer
|
Jia, Chun-Sheng |
|
2017 |
667 |
C |
p. 211-215 |
artikel |
60 |
Thiacalix[4]arene functionalized gold nano-assembly for recognition of isoleucine in aqueous solution and its antioxidant study
|
Darjee, Savan M. |
|
2017 |
667 |
C |
p. 137-145 |
artikel |
61 |
Understanding the emission pattern produced by focused laser beam excitation of perylene square single crystals
|
Takazawa, Ken |
|
2017 |
667 |
C |
p. 284-289 |
artikel |
62 |
Vaporization behavior of tetraoctylphosphonium bis(2-ethylhexyl)phosphate ionic liquid
|
McMurray, J.W. |
|
2017 |
667 |
C |
p. 55-61 |
artikel |