nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
1 |
Ab initio prediction of novel alkalides FLi2–M–Li2F (M=Li, Na and K)
|
Srivastava, Ambrish Kumar |
|
2015 |
639 |
C |
p. 307-309 3 p. |
artikel |
2 |
Accurate 12D dipole moment surfaces of ethylene
|
Delahaye, Thibault |
|
2015 |
639 |
C |
p. 275-282 8 p. |
artikel |
3 |
A combined ab initio and Franck–Condon simulation study of the photodetachment spectra of the HCBr− anion
|
Yang, Zhen-li |
|
2015 |
639 |
C |
p. 151-156 6 p. |
artikel |
4 |
A computational model for predicting experimental RNA nearest-neighbor free energy rankings: Inosine·uridine pairs
|
Jolley, Elizabeth A. |
|
2015 |
639 |
C |
p. 157-160 4 p. |
artikel |
5 |
A modified sequential method used to prepare high quality perovskite on ZnO nanorods
|
Wang, Meijuan |
|
2015 |
639 |
C |
p. 283-288 6 p. |
artikel |
6 |
A new insight into the dipole–quadrupole and dipole–octupole polarizabilities of CCl4 from ab initio calculations and anisotropic light scattering experiment
|
El-Kader, M.S.A. |
|
2015 |
639 |
C |
p. 93-98 6 p. |
artikel |
7 |
An isotopic mass effect on the intermolecular potential
|
Herman, Michael F. |
|
2015 |
639 |
C |
p. 266-268 3 p. |
artikel |
8 |
A theoretical study on single-electron reduction of a thiolate-bridged diiron diazene complex
|
Luo, Lun |
|
2015 |
639 |
C |
p. 300-303 4 p. |
artikel |
9 |
Atmospheric chemistry of cis-CF3CHCHCl (HCFO-1233zd(Z)): Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3
|
Andersen, Lene Løffler |
|
2015 |
639 |
C |
p. 289-293 5 p. |
artikel |
10 |
Automatic detection of hidden dimensions to obtain appropriate reaction coordinates in the Outlier FLOODing (OFLOOD) method
|
Harada, Ryuhei |
|
2015 |
639 |
C |
p. 269-274 6 p. |
artikel |
11 |
Benford analysis: A useful paradigm for spectroscopic analysis
|
Bhole, Gaurav |
|
2015 |
639 |
C |
p. 36-40 5 p. |
artikel |
12 |
Chemical physics behind phthalocyanine–gold nanoparticle interaction and its effect over supramolecular interaction between PC70BM and phthalocyanine in solution
|
Ray, Anamika |
|
2015 |
639 |
C |
p. 183-188 6 p. |
artikel |
13 |
Comment on ‘On Saltiel's isopolarizability approach and its applicability to diphenylpolyenes’ by J. Catalán, Chem. Phys. Lett. 635 (2015) 56–59
|
Saltiel, Jack |
|
2015 |
639 |
C |
p. 142-144 3 p. |
artikel |
14 |
Conformational analysis of morpholine studied using Raman spectroscopy and density functional theoretical calculations
|
SenGupta, Sumana |
|
2015 |
639 |
C |
p. 1-6 6 p. |
artikel |
15 |
Contents
|
|
|
2015 |
639 |
C |
p. iii-xviii nvt p. |
artikel |
16 |
Corrigendum to “Effect of molecular diameters on state-to-state transport properties: The shear viscosity coefficient” [Chem. Phys. Lett. 636C (2015) 84–89]
|
Kustova, Elena V. |
|
2015 |
639 |
C |
p. 294- 1 p. |
artikel |
17 |
Decomposition processes of H3NBH3 (borazane), (BH)3(NH)3 (borazine), and B(CH3)3 (trimethylboron) on heated W wire surfaces
|
Umemoto, Hironobu |
|
2015 |
639 |
C |
p. 7-10 4 p. |
artikel |
18 |
DFT study of molecular hydrogen interaction with photoexcited TiO2 surface: Nanocluster model
|
Kevorkyants, R. |
|
2015 |
639 |
C |
p. 225-229 5 p. |
artikel |
19 |
Editorial Board
|
|
|
2015 |
639 |
C |
p. IFC- 1 p. |
artikel |
20 |
Effect of curvature on properties of diblock copolymers confined between two coaxial cylinders: 2. Domain adjustment in a curved bilayer
|
Xiao, Xingqing |
|
2015 |
639 |
C |
p. 326-334 9 p. |
artikel |
21 |
Experimental study of surface tension, specific heat and thermal diffusivity of liquid and solid titanium
|
Zhou, K. |
|
2015 |
639 |
C |
p. 105-108 4 p. |
artikel |
22 |
Exploring the MP2 energy surface of nanoalloy clusters with a genetic algorithm: Application to sodium–potassium
|
Silva, F.T. |
|
2015 |
639 |
C |
p. 135-141 7 p. |
artikel |
23 |
First experimental photo-detachment spectrum of H2 −
|
Rudnev, Vitaly |
|
2015 |
639 |
C |
p. 41-46 6 p. |
artikel |
24 |
Fluorescent carbon ‘quantum’ dots from thermochemical functionalization of carbon nanoparticles
|
Rednic, Monica I. |
|
2015 |
639 |
C |
p. 109-113 5 p. |
artikel |
25 |
From H2 + to the multidimensional potential of the intermolecular interaction Ar·HBr: A canonical approach
|
Walton, Jay R. |
|
2015 |
639 |
C |
p. 63-66 4 p. |
artikel |
26 |
Gas-phase photodissociation of CF3C(O)Cl between 193 and 280nm
|
McGillen, Max R. |
|
2015 |
639 |
C |
p. 189-194 6 p. |
artikel |
27 |
2H and 13C NMR studies of orientational order and actual amount of n-heptane molecule in liquid crystal phases of the 7CB–n-heptane system
|
Kumagai, Yoshihide |
|
2015 |
639 |
C |
p. 114-119 6 p. |
artikel |
28 |
Highly sensitive ethanol chemical sensor based on nanostructured SnO2 doped ZnO modified glassy carbon electrode
|
Harraz, Farid A. |
|
2015 |
639 |
C |
p. 238-242 5 p. |
artikel |
29 |
Hot Brownian thermometry and cavity-enhanced harmonic generation with nonlinear optical nanowires
|
Smith, Bennett E. |
|
2015 |
639 |
C |
p. 310-314 5 p. |
artikel |
30 |
Hydrolysis reaction of 2,4-dichlorophenoxyacetic acid. A kinetic and computational study
|
Romero, Jorge Marcelo |
|
2015 |
639 |
C |
p. 57-62 6 p. |
artikel |
31 |
Identification and characterization of 1,2-BN cyclohexene using microwave spectroscopy
|
Kukolich, Stephen G. |
|
2015 |
639 |
C |
p. 88-92 5 p. |
artikel |
32 |
Improved Le Sech wavefunctions for two-electron atomic systems
|
Chauhan, Rabeet Singh |
|
2015 |
639 |
C |
p. 248-253 6 p. |
artikel |
33 |
Improved luminescence of YPO4:Eu3+ phosphors by codoping Ca2+
|
Yang, Yang |
|
2015 |
639 |
C |
p. 67-70 4 p. |
artikel |
34 |
Indirect interacting force between nanoparticles within athermal polymers: A Langevin dynamics study
|
Duan, Zhi-Guang |
|
2015 |
639 |
C |
p. 234-237 4 p. |
artikel |
35 |
Influence of temperature on the mechanical alloying of Cu–Nb powder mixtures
|
Locci, Antonio Mario |
|
2015 |
639 |
C |
p. 23-28 6 p. |
artikel |
36 |
Influence of the Ce–F interaction on cerium photoelectron spectra in CeO X F Y layers
|
Kettner, M. |
|
2015 |
639 |
C |
p. 126-130 5 p. |
artikel |
37 |
Infrared laser Stark spectroscopy of hydroxymethoxycarbene in 4He nanodroplets
|
Broderick, Bernadette M. |
|
2015 |
639 |
C |
p. 99-104 6 p. |
artikel |
38 |
Infrared spectroscopic and thermodynamic assessment of extraframework cationic adsorption sites in the zeolite K-L by using CO as probe molecule
|
Delgado, Montserrat R. |
|
2015 |
639 |
C |
p. 195-198 4 p. |
artikel |
39 |
In situ measurement of activation energy for pyrolysis of ethanol as a first reaction in the synthesis of carbon nanotubes
|
Ohga, Yosuke |
|
2015 |
639 |
C |
p. 261-265 5 p. |
artikel |
40 |
Intensity enhancement of vibrational sum frequency generation by gap-mode plasmon resonance
|
Okuno, Masanari |
|
2015 |
639 |
C |
p. 83-87 5 p. |
artikel |
41 |
Interaction of SO2 and SO3 on terthiophene (as a model of polythiophene gas sensor): DFT calculations
|
Rad, Ali Shokuhi |
|
2015 |
639 |
C |
p. 29-35 7 p. |
artikel |
42 |
Intermolecular forces in acetonitrile+ethanol binary liquid mixtures
|
Elangovan, A. |
|
2015 |
639 |
C |
p. 161-165 5 p. |
artikel |
43 |
Intramolecular radiationless transition or background cosmic field effect in NO2
|
Weber, H.G. |
|
2015 |
639 |
C |
p. 243-247 5 p. |
artikel |
44 |
Kernel density estimation-based solution of the nuclear Schrödinger equation
|
Unke, Oliver Thorsten |
|
2015 |
639 |
C |
p. 52-56 5 p. |
artikel |
45 |
Kinetics of gas-phase reactions of cyc-CF2CF2CF2CHFCH2 and trans-cyc-CF2CF2CF2CHFCHF with OH radicals between 253 and 328K
|
Zhang, Ni |
|
2015 |
639 |
C |
p. 199-204 6 p. |
artikel |
46 |
Molecular dynamics simulations of alkali metal halides in supercritical water
|
Sarkar, Atanu |
|
2015 |
639 |
C |
p. 71-77 7 p. |
artikel |
47 |
More aromatic molecular junction has lower conductance
|
Xie, Zhen |
|
2015 |
639 |
C |
p. 131-134 4 p. |
artikel |
48 |
Non-Born–Oppenheimer calculations of the HD molecule in a strong magnetic field
|
Adamowicz, Ludwik |
|
2015 |
639 |
C |
p. 295-299 5 p. |
artikel |
49 |
On molecular and electron structures of neutral and charged forms of a dinuclear zinc(II) complex with diphenylamine ligands
|
Puškárová, Ingrid |
|
2015 |
639 |
C |
p. 211-216 6 p. |
artikel |
50 |
On NMR prediction of the effectiveness of p-phenylenediamine antioxidants
|
Puškárová, Ingrid |
|
2015 |
639 |
C |
p. 78-82 5 p. |
artikel |
51 |
pH-dependent size distribution of gold nanoparticles investigated by in situ pH-monitoring throughout the synthetic reaction
|
Kang, Aeyeon |
|
2015 |
639 |
C |
p. 230-233 4 p. |
artikel |
52 |
Properties and electrochemical characteristics of boron-doped multi-walled carbon nanotubes
|
Tsierkezos, Nikos G. |
|
2015 |
639 |
C |
p. 217-224 8 p. |
artikel |
53 |
Quantitative evaluation of surface topographical changes of Au thin films after DNA immobilization
|
Spampinato, S. |
|
2015 |
639 |
C |
p. 120-125 6 p. |
artikel |
54 |
Selective plasmon driven surface catalysis in metal triangular nanoplate-molecule-film sandwich structure
|
Yang, Yanna |
|
2015 |
639 |
C |
p. 47-51 5 p. |
artikel |
55 |
Structure, energetics, and bonding of novel potential high energy density materials Rh2(N5)4: A DFT study
|
Tang, Lihong |
|
2015 |
639 |
C |
p. 166-171 6 p. |
artikel |
56 |
Study of H/D exchange rates to derive the strength of intramolecular hydrogen bonds in halo substituted organic building blocks: An NMR spectroscopic investigation
|
Mishra, Sandeep Kumar |
|
2015 |
639 |
C |
p. 254-260 7 p. |
artikel |
57 |
Substituents role in zinc phthalocyanine derivatives used as dye-sensitized solar cells. A theoretical study using Density Functional Theory
|
Linares-Flores, Cristian |
|
2015 |
639 |
C |
p. 172-177 6 p. |
artikel |
58 |
Synthesis of Ag or Pt nanoparticle-deposited TiO2 nanorods for the highly efficient photoreduction of CO2 to CH4
|
Wang, Qingli |
|
2015 |
639 |
C |
p. 11-16 6 p. |
artikel |
59 |
Temperature dependent rate coefficients for the reaction of OH radicals with dimethylbenzoquinones
|
Bejan, Iustinian |
|
2015 |
639 |
C |
p. 145-150 6 p. |
artikel |
60 |
The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra
|
Longhi, Giovanna |
|
2015 |
639 |
C |
p. 320-325 6 p. |
artikel |
61 |
The one-electron description of excited states: Natural excitation orbitals of density matrix theory and Kohn–Sham orbitals of density functional theory as ideal orbitals
|
van Meer, R. |
|
2015 |
639 |
C |
p. 315-319 5 p. |
artikel |
62 |
Theoretical calculation of the pyrene emission properties in different solvents
|
D’Abramo, Marco |
|
2015 |
639 |
C |
p. 17-22 6 p. |
artikel |
63 |
Theoretical investigation of the methane cracking reaction pathways on Ni (111) surface
|
Li, Jingde |
|
2015 |
639 |
C |
p. 205-210 6 p. |
artikel |
64 |
The pure rotational spectrum of thorium monosulfide, ThS
|
Steimle, Timothy C. |
|
2015 |
639 |
C |
p. 304-306 3 p. |
artikel |
65 |
Wavy carbon: A new series of carbon structures explored by quantum chemical calculations
|
Ohno, Koichi |
|
2015 |
639 |
C |
p. 178-182 5 p. |
artikel |