nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio study of adsorption properties of hazardous organic molecules on graphene: Phenol, phenyl azide, and phenylnitrene
|
Lee, Junsu |
|
2015 |
618 |
C |
p. 57-62 6 p. |
artikel |
2 |
A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of OH topological types
|
Akase, Dai |
|
2015 |
618 |
C |
p. 51-56 6 p. |
artikel |
3 |
Analysis of a remarkable perpendicular band in KrH2O with origin close to the ν 1 + ν 3 R(0) line in H2O
|
Vanfleteren, |
|
2015 |
618 |
C |
p. 119-122 4 p. |
artikel |
4 |
Annealing relaxation of ultrasmall gold nanostructures
|
Chaban, Vitaly |
|
2015 |
618 |
C |
p. 46-50 5 p. |
artikel |
5 |
A novel green phosphor LaMgAl11O19:Ho3+ for near-UV/blue light-pumped white light-emitting diodes
|
Min, Xin |
|
2015 |
618 |
C |
p. 182-185 4 p. |
artikel |
6 |
Benchmark binding energies of ammonium and alkyl-ammonium ions interacting with water. Are ammonium–water hydrogen bonds strong?
|
Vallet, Valérie |
|
2015 |
618 |
C |
p. 168-173 6 p. |
artikel |
7 |
Breakdown of diameter selectivity in a reductive hydrogenation reaction of single-walled carbon nanotubes
|
Nemeth, Katalin |
|
2015 |
618 |
C |
p. 214-218 5 p. |
artikel |
8 |
Contents
|
|
|
2015 |
618 |
C |
p. iii-xiv nvt p. |
artikel |
9 |
Depression of melting point for protective aluminum oxide films
|
Dreizin, E.L. |
|
2015 |
618 |
C |
p. 63-65 3 p. |
artikel |
10 |
Editorial Board
|
|
|
2015 |
618 |
C |
p. IFC- 1 p. |
artikel |
11 |
Electronic and magnetic properties of C60–Fe n –graphene intercalating nanostructures (n =1–6) predicted from first-principles calculations
|
Le, Hung M. |
|
2015 |
618 |
C |
p. 127-131 5 p. |
artikel |
12 |
Electronic energy gap correlation function and spectral density of anharmonic molecules at low temperatures I: Theory
|
Toutounji, Mohamad |
|
2015 |
618 |
C |
p. 37-41 5 p. |
artikel |
13 |
Field-swept 33S NMR study of elemental sulfur
|
Yamada, Kazuhiko |
|
2015 |
618 |
C |
p. 20-23 4 p. |
artikel |
14 |
FTIR gas kinetic study of the reactions of ozone with a series of hexenols at atmospheric pressure and 298K
|
Gibilisco, Rodrigo G. |
|
2015 |
618 |
C |
p. 114-118 5 p. |
artikel |
15 |
Gauge-origin dependence of NMR shielding constants in the Douglas–Kroll–Hess method
|
Yoshizawa, Terutaka |
|
2015 |
618 |
C |
p. 132-141 10 p. |
artikel |
16 |
Generation of long-lived methylviologen radical cation in the triplet-state mediated electron transfer in a β-cyclodextrin based supramolecular triad
|
Rakhi, Arikkottira M. |
|
2015 |
618 |
C |
p. 192-197 6 p. |
artikel |
17 |
Heterogeneous elastic network model improves description of slow motions of proteins in solution
|
Li, Min |
|
2015 |
618 |
C |
p. 102-107 6 p. |
artikel |
18 |
Inhibitory effect of oxygen on excitation waves in the Belousov–Zhabotinsky reaction with different excitability
|
Luengviriya, Jiraporn |
|
2015 |
618 |
C |
p. 6-10 5 p. |
artikel |
19 |
Initiation stage of alkene metathesis: Insights from natural bond orbital and charge decomposition analyses
|
Paredes-Gil, Katherine |
|
2015 |
618 |
C |
p. 174-181 8 p. |
artikel |
20 |
Interaction of rare gas dimers in the confines of a carbon nanotube
|
Kumar, Pradeep |
|
2015 |
618 |
C |
p. 42-45 4 p. |
artikel |
21 |
Linearity condition for orbital energies in density functional theory (V): Extension to excited state calculations
|
Imamura, Yutaka |
|
2015 |
618 |
C |
p. 30-36 7 p. |
artikel |
22 |
Observation of abnormal magnetoelectric behavior in 0-3 type CoFe2O4–BaTiO3 nanocomposites
|
Wang, W.P. |
|
2015 |
618 |
C |
p. 72-77 6 p. |
artikel |
23 |
Optical properties of anthocyanins in the gas phase
|
Ge, Xiaochuan |
|
2015 |
618 |
C |
p. 24-29 6 p. |
artikel |
24 |
pH dependent protein stability: A quantitative approach based on Kramer's barrier escape
|
Chatterjee, Debarati |
|
2015 |
618 |
C |
p. 94-98 5 p. |
artikel |
25 |
Probing dissociative electron attachment through formation of heavy-Rydberg ion pair states in Rydberg atom collisions
|
Buathong, S. |
|
2015 |
618 |
C |
p. 153-161 9 p. |
artikel |
26 |
Radicalicity: A scale to compare reactivities of radicals
|
Fiser, Béla |
|
2015 |
618 |
C |
p. 99-101 3 p. |
artikel |
27 |
Raman spectroscopic approach to monitor the in vitro cyclization of creatine→creatinine
|
Gangopadhyay, Debraj |
|
2015 |
618 |
C |
p. 225-230 6 p. |
artikel |
28 |
Redox-dependent conformational transition of catalytic domain of protein disulfide isomerase indicated by crystal structure-based molecular dynamics simulation
|
Inagaki, Koya |
|
2015 |
618 |
C |
p. 203-207 5 p. |
artikel |
29 |
Reduction of N2 with H2 on palladium surfaces at low temperatures
|
Murakami, Junichi |
|
2015 |
618 |
C |
p. 1-5 5 p. |
artikel |
30 |
Reptation Quantum Monte Carlo calculation of charge transfer: The Na–Cl dimer
|
Yao, Yi |
|
2015 |
618 |
C |
p. 236-240 5 p. |
artikel |
31 |
Search of the conformations of Val-dipeptide and Val-tripeptide by ab initio method and ABEEMσπ polarizable force field
|
Xu, Shuang |
|
2015 |
618 |
C |
p. 147-152 6 p. |
artikel |
32 |
Sensitized non-coherent photon upconversion by intramolecular triplet–triplet annihilation in a diphenylanthracene pendant polymer
|
Tilley, Andrew J. |
|
2015 |
618 |
C |
p. 198-202 5 p. |
artikel |
33 |
Smaller 145th residue makes fluorescent protein non-fluorescent: Fluorescence lifetimes of enhanced yellow fluorescent protein (eYFP) Y145 mutants and H148 mutants
|
Hosoi, Haruko |
|
2015 |
618 |
C |
p. 186-191 6 p. |
artikel |
34 |
Solid electrolyte interphases at Li-ion battery graphitic anodes in propylene carbonate (PC)-based electrolytes containing FEC, LiBOB, and LiDFOB as additives
|
Bhatt, Mahesh Datt |
|
2015 |
618 |
C |
p. 208-213 6 p. |
artikel |
35 |
Substrate effect on thermal transport properties of graphene on SiC(0001) surface
|
Chen, Kai-Xuan |
|
2015 |
618 |
C |
p. 231-235 5 p. |
artikel |
36 |
Surface Enhanced Raman Scattering studies of l-amino acids adsorbed on silver nanoclusters
|
Botta, Raju |
|
2015 |
618 |
C |
p. 14-19 6 p. |
artikel |
37 |
Synthesis and mechanism study of CdS quantum dots in two-phase liquid/liquid interfaces via one-pot route
|
Wang, Jidong |
|
2015 |
618 |
C |
p. 11-13 3 p. |
artikel |
38 |
The hydration properties of Eu(II) and Eu(III): An ab initio quantum mechanical molecular dynamics study
|
Canaval, Lorenz R. |
|
2015 |
618 |
C |
p. 78-82 5 p. |
artikel |
39 |
Theoretical DFT study of homonuclear and binary transition-metal dimers
|
Posada-Borbón, Alvaro |
|
2015 |
618 |
C |
p. 66-71 6 p. |
artikel |
40 |
The substituent effect from the perspective of local hyper-softness. An example applied on normeloxicam, meloxicam and 4-meloxicam: Non-steroidal anti-inflammatory drugs
|
Martínez-Araya, Jorge Ignacio |
|
2015 |
618 |
C |
p. 162-167 6 p. |
artikel |
41 |
The thiocyanate anion is a primary driver of carbon dioxide capture by ionic liquids
|
Chaban, Vitaly |
|
2015 |
618 |
C |
p. 89-93 5 p. |
artikel |
42 |
Tuning electron–hole distance of the excitons in organic molecules using functional groups
|
Wang, Tianyang |
|
2015 |
618 |
C |
p. 142-146 5 p. |
artikel |
43 |
UV-tunable laser induced photolysis of matrix isolated anisole
|
Krupa, Justyna |
|
2015 |
618 |
C |
p. 219-224 6 p. |
artikel |
44 |
When valence bond wave functions are analyzed through QTAIM: Conceptual incompatibilities in H2
|
Ferro-Costas, David |
|
2015 |
618 |
C |
p. 83-88 6 p. |
artikel |
45 |
X-ray induced color change on dense yttria samples obtained by spark plasma sintering
|
Attia, Mohammed A.A. |
|
2015 |
618 |
C |
p. 108-113 6 p. |
artikel |
46 |
ZnO homojunction ultraviolet photodetector based on p-type dual-doped film and n-type nanorods
|
Duan, Li |
|
2015 |
618 |
C |
p. 123-126 4 p. |
artikel |