| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio studies of novel carbon nitride phase C2N2(CH2)
|
Wei , Qun
|
|
2013
|
415 |
C |
p. 36-43
8 p.
|
artikel
|
| 2 |
An ab initio quantum chemical investigation of the structure and stability of ozone-water complexes
|
Kumar, Pradeep
|
|
2013
|
415 |
C |
p. 214-221
8 p.
|
artikel
|
| 3 |
A new family of star-like icosahedral structures for small cobalt clusters
|
Aguilera-Granja, F.
|
|
2013
|
415 |
C |
p. 106-111
6 p.
|
artikel
|
| 4 |
A study of the valence shell electronic structure and photoionisation dynamics of meta-dichlorobenzene and meta-bromochlorobenzene
|
Potts, A.W.
|
|
2013
|
415 |
C |
p. 84-97
14 p.
|
artikel
|
| 5 |
A study of the valence shell electronic structure and photoionisation dynamics of para-dichlorobenzene and para-bromochlorobenzene
|
Powis, I.
|
|
2013
|
415 |
C |
p. 291-308
18 p.
|
artikel
|
| 6 |
Bimolecular recombination in molecularly doped polymers
|
Tyutnev , Andrey
|
|
2013
|
415 |
C |
p. 133-139
7 p.
|
artikel
|
| 7 |
Calculating scattering cross sections in the near field: Analytic proof and numerical verification
|
Hu, Zixuan
|
|
2013
|
415 |
C |
p. 14-17
4 p.
|
artikel
|
| 8 |
Corrigendum to ‘Fluorescence Correlation Spectroscopy at High Concentrations using Gold Bowtie Nanoantennas’ [Chem. Phys. 406C (2012) 3–8]
|
Kinkhabwala, Anika A.
|
|
2013
|
415 |
C |
p. 309-
1 p.
|
artikel
|
| 9 |
Cycloaddition of ozone to allyl alcohol, acrylic acid and allyl aldehyde: A comparative DFT study
|
Yang, Jing
|
|
2013
|
415 |
C |
p. 161-167
7 p.
|
artikel
|
| 10 |
DFT study on stability and H2 adsorption activity of bimetallic Au79− n Pd n (n =1–55) clusters
|
Liu, Xuejing
|
|
2013
|
415 |
C |
p. 179-185
7 p.
|
artikel
|
| 11 |
Dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol from first principles simulations with dispersion corrected density functional
|
Kumar Yadav, Vivek
|
|
2013
|
415 |
C |
p. 1-7
7 p.
|
artikel
|
| 12 |
Effect of activation volume on the pressure-induced anomalous resistances in EuFe2As2
|
Kwang-Hua , Chu W.
|
|
2013
|
415 |
C |
p. 186-189
4 p.
|
artikel
|
| 13 |
Effect of microsolvation on hydrogen trapping potential of metal ions
|
Das, Ranjita
|
|
2013
|
415 |
C |
p. 256-268
13 p.
|
artikel
|
| 14 |
Effect of organic molecules on hydrolysis of peptide bond: A DFT study
|
Makshakova, Olga
|
|
2013
|
415 |
C |
p. 282-290
9 p.
|
artikel
|
| 15 |
Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
|
Zhao, Peng
|
|
2013
|
415 |
C |
p. 98-105
8 p.
|
artikel
|
| 16 |
Fluorescence excitation spectra, Raman spectra and structure of isochroman in its S1 (π, π∗) state
|
Chakraborty, Abhijit
|
|
2013
|
415 |
C |
p. 140-144
5 p.
|
artikel
|
| 17 |
Ground state analysis of magnetic nanographene molecules with modified edge
|
Gorjizadeh, Narjes
|
|
2013
|
415 |
C |
p. 64-68
5 p.
|
artikel
|
| 18 |
IFC (Editorial Board)
|
|
|
2013
|
415 |
C |
p. IFC-
1 p.
|
artikel
|
| 19 |
Influence of collision energy and reagent vibrational excitation on the stereodynamics of the reaction H+LiH→H2 +Li
|
Jiang, Zhijun
|
|
2013
|
415 |
C |
p. 8-13
6 p.
|
artikel
|
| 20 |
Ionization dynamics of the water trimer: A direct ab initio MD study
|
Tachikawa, Hiroto
|
|
2013
|
415 |
C |
p. 76-83
8 p.
|
artikel
|
| 21 |
Light induced selective heating of nanostructured pyrolitic graphite surfaces investigated by Raman scattering
|
Cardenas, J.F.
|
|
2013
|
415 |
C |
p. 232-236
5 p.
|
artikel
|
| 22 |
Li2O clusters for high-capacity hydrogen storage: A first principles study
|
Wang, Yusheng
|
|
2013
|
415 |
C |
p. 26-30
5 p.
|
artikel
|
| 23 |
Microwave, infrared and Raman spectra, adjusted r 0 structural parameters, conformational stability, and vibrational assignment of cyclopropylfluorosilane
|
Panikar, Savitha S.
|
|
2013
|
415 |
C |
p. 124-132
9 p.
|
artikel
|
| 24 |
Microwave, infrared, and Raman spectra, r 0 structural parameters, conformational stability and ab initio calculations of cyclohexylisocyanate
|
Zhou, Sarah Xiaohua
|
|
2013
|
415 |
C |
p. 44-55
12 p.
|
artikel
|
| 25 |
NO + NH 3 reaction over polycrystalline Pt: Numerical analysis of spatio-temporal data and evidence of non-linear behavior
|
Rafti , M.
|
|
2013
|
415 |
C |
p. 56-63
8 p.
|
artikel
|
| 26 |
On the crystallographic accuracy of structure prediction by implicit water models: Tests for cyclic peptides
|
Goldtzvik, Yonathan
|
|
2013
|
415 |
C |
p. 168-172
5 p.
|
artikel
|
| 27 |
Phenylacetylene dimer: Ab initio and DFT study
|
Patwari, G. Naresh
|
|
2013
|
415 |
C |
p. 150-155
6 p.
|
artikel
|
| 28 |
Phosphorescence quantum yield determination with time-gated fluorimeter and Tb(III)-acetylacetonate as luminescence reference
|
Penzkofer, A.
|
|
2013
|
415 |
C |
p. 173-178
6 p.
|
artikel
|
| 29 |
Protonation of caffeine: A theoretical and experimental study
|
Bahrami, Hamed
|
|
2013
|
415 |
C |
p. 222-227
6 p.
|
artikel
|
| 30 |
Relativistic time-dependent density functional calculations for the excited states of the cadmium dimer
|
Kullie , Ossama
|
|
2013
|
415 |
C |
p. 112-118
7 p.
|
artikel
|
| 31 |
Side chain effect on electronic structure of spin-coated films of [6,6]-phenyl-C61-butyric acid methyl ester and its bis-adduct
|
Akaike, Kouki
|
|
2013
|
415 |
C |
p. 31-35
5 p.
|
artikel
|
| 32 |
Site-selective photofragmentation of chlorinated polymeric films observed around the chlorine K-edge
|
Arantes, C.
|
|
2013
|
415 |
C |
p. 145-149
5 p.
|
artikel
|
| 33 |
Solvatochromism, multiphoton fluorescence, and resonance energy transfer in a new octupolar dye-pair
|
Namboodiri, C.K.R.
|
|
2013
|
415 |
C |
p. 190-195
6 p.
|
artikel
|
| 34 |
Spectroscopic determination of enthalpies of sublimation of organic materials in the vapor phase: Benzoic acid, ferrocene, and naphthalene
|
Hikal, Walid M.
|
|
2013
|
415 |
C |
p. 228-231
4 p.
|
artikel
|
| 35 |
State-resolved master equation analysis of thermochemical nonequilibrium of nitrogen
|
Kim , Jae Gang
|
|
2013
|
415 |
C |
p. 237-246
10 p.
|
artikel
|
| 36 |
State-to-state models for CO2 molecules: From the theory to an application to hypersonic boundary layers
|
Armenise, I.
|
|
2013
|
415 |
C |
p. 269-281
13 p.
|
artikel
|
| 37 |
Structural distribution in mixed ternary noble gas and Lennard-Jones clusters
|
Wu, Xia
|
|
2013
|
415 |
C |
p. 69-75
7 p.
|
artikel
|
| 38 |
TD-DFT and DFT/MRCI study of electronic excitations in Violaxanthin and Zeaxanthin
|
Götze, Jan Philipp
|
|
2013
|
415 |
C |
p. 247-255
9 p.
|
artikel
|
| 39 |
The halogen ⋯ oxygen interaction in 3-halogenopropenal revisited – The dimer model vs. QTAIM indications
|
Jabłoński , Mirosław
|
|
2013
|
415 |
C |
p. 207-213
7 p.
|
artikel
|
| 40 |
Thermal diffusion factor of Stockmayer mixtures: A non-equilibrium molecular dynamic study
|
Yeganegi, Saeid
|
|
2013
|
415 |
C |
p. 119-123
5 p.
|
artikel
|
| 41 |
The Se–H bond of benzeneselenols (ArSe-H): Relationship between bond dissociation enthalpy and spin density of radicals
|
Nam, Pham Cam
|
|
2013
|
415 |
C |
p. 18-25
8 p.
|
artikel
|
| 42 |
Tuning the NLO properties of polymethineimine chains by chemical substitution
|
Medved’, Miroslav
|
|
2013
|
415 |
C |
p. 196-206
11 p.
|
artikel
|
| 43 |
Visible light photoreactivity from hybridization states between carbon nitride bandgap states and valence states in Nb and Ti oxides
|
Lee , Hosik
|
|
2013
|
415 |
C |
p. 156-160
5 p.
|
artikel
|
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