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                             60 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A density functional study of small Ti x C y (x, y =1–4) molecules and their thermochemical properties Patzer, A.B.C.
 2014
 612 C p. 39-44
6 p.
 artikel
2 Adsorption of tetrathiafulvalene (TTF) on Cu(100): can π-stacked 1-D aggregates be formed at low temperature? Sarasola, Ane
 2014
 612 C p. 45-50
6 p.
 artikel
3 AlF4 superhalogen as the trigger-compound initiating the radical-substitution reactions Marchaj, Marzena
 2014
 612 C p. 172-176
5 p.
 artikel
4 An alternative explanation for the collapse of unfolded proteins in an aqueous mixture of urea and guanidinium chloride Graziano, Giuseppe
 2014
 612 C p. 313-317
5 p.
 artikel
5 Anharmonic effects in the vibrational spectra of radon-containing small molecules Fitzsimmons, A.
 2014
 612 C p. 73-77
5 p.
 artikel
6 Antireflection and downconversion response of Nd3+ doped Y2O3/Si thin film deposited by AACVD process Elleuch, R.
 2014
 612 C p. 1-7
7 p.
 artikel
7 A simple but highly selective and sensitive fluorescence reporter for toxic CdII ion via excimer formation Samanta, Anuva
 2014
 612 C p. 251-255
5 p.
 artikel
8 Computational interpretation of 23Na MQMAS NMR spectra: A comprehensive investigation of the Na environment in silicate glasses Gambuzzi, Elisa
 2014
 612 C p. 56-61
6 p.
 artikel
9 Contents 2014
 612 C p. iii-xvii
nvt p.
 artikel
10 Corrigendum to “Atomic stress tensor analysis of proteins” [Chem. Phys. Lett. 539 (2012) 144–150] Ishikura, Takakazu
 2014
 612 C p. 318-319
2 p.
 artikel
11 DFT characterization of a new possible graphene allotrope Karaush, Nataliya N.
 2014
 612 C p. 229-233
5 p.
 artikel
12 Dynamics of endo- vs. exo- complexation and electronic absorption of calix[4]arene-Ar2 Cabral, Benedito J.C.
 2014
 612 C p. 266-272
7 p.
 artikel
13 Editorial Board 2014
 612 C p. IFC-
1 p.
 artikel
14 Effects of torsional disorder and position isomerism on two-photon absorption properties of polar chromophore dimers Jia, Hai-Hong
 2014
 612 C p. 151-156
6 p.
 artikel
15 Electric properties of linear (LiCN) n and (LiNC) n aggregates: An ab initio study of the lithium bonding effects Brandão, I.
 2014
 612 C p. 84-88
5 p.
 artikel
16 Electrochemical reduction of an anion for ionic-liquid molecules on a lithium electrode studied by first-principles calculations Ando, Yasunobu
 2014
 612 C p. 240-244
5 p.
 artikel
17 Electronic transport through oligopeptide chains: An artificial prototype of a molecular diode Oliveira, J.I.N.
 2014
 612 C p. 14-19
6 p.
 artikel
18 Electron-induced single strand break in the nucleotide of 5- and 6-bromouridine. A DFT study Golon, Łukasz
 2014
 612 C p. 289-294
6 p.
 artikel
19 Electron localization-delocalization matrices in the prediction of pK a's and UV-wavelengths of maximum absorbance of p-benzoic acids and the definition of super-atoms in molecules Sumar, Ismat
 2014
 612 C p. 190-197
8 p.
 artikel
20 Electron propagator theory approach to ab initio calculations of electron transfer rate and molecular conductance Kletsov, Aleksey A.
 2014
 612 C p. 203-208
6 p.
 artikel
21 Enhanced ultraviolet photoresponse in Au/ZnO nanorods Mahanti, Moumita
 2014
 612 C p. 101-105
5 p.
 artikel
22 Enhanced visible light photocatalytic activity for the hybrid MoS2/anatase TiO2(001) nanocomposite: A first-principles study Cao, Ling
 2014
 612 C p. 285-288
4 p.
 artikel
23 Environmentally friendly synthesis of supportless Pt based nanoreactors in aqueous solution Groves, Michael N.
 2014
 612 C p. 309-312
4 p.
 artikel
24 EPR, optical absorption and superposition model studies of Cr3+ doped dipotassium stannic chloride monohydrate Kripal, Ram
 2014
 612 C p. 245-250
6 p.
 artikel
25 Experimental and computational investigation of intermolecular interactions in cyclopentanone with methanol mixture Zhang, Yu-Feng
 2014
 612 C p. 223-228
6 p.
 artikel
26 Exploring Hamiltonian dielectric solvent molecular dynamics Bauer, Sebastian
 2014
 612 C p. 20-24
5 p.
 artikel
27 Extended coupled cluster method for potential energy surface: A decoupled approach Joshi, Sayali P.
 2014
 612 C p. 209-213
5 p.
 artikel
28 Extensive water cluster fragmentation after low energy electron ionization Lengyel, Jozef
 2014
 612 C p. 256-261
6 p.
 artikel
29 Fabrication of zinc oxide nanoneedles on conductive textile for harvesting piezoelectric potential Khan, Azam
 2014
 612 C p. 62-67
6 p.
 artikel
30 FeO2/MgO(100) supported cluster: Computational pursual for a low-cost and low-temperature CO nanocatalyst Zamora, A.Y.
 2014
 612 C p. 117-123
7 p.
 artikel
31 First-principles study of Cu-doping and oxygen vacancy effects on TiO2 for water splitting Zhang, Huamin
 2014
 612 C p. 106-110
5 p.
 artikel
32 First-principles study of fast Na diffusion in Na3P Yu, Xue-fang
 2014
 612 C p. 129-133
5 p.
 artikel
33 High permittivity induced by interaction between PI matrix and graphite oxide filler Lai, Maobai
 2014
 612 C p. 280-284
5 p.
 artikel
34 Hypercubane: DFT-based prediction of an O h -symmetric double-shell hydrocarbon Pichierri, Fabio
 2014
 612 C p. 198-202
5 p.
 artikel
35 Implementation of an alternative method to determine the critical cooling rate: Application in silver and copper nanoparticles Medrano, L.R.
 2014
 612 C p. 273-279
7 p.
 artikel
36 In situ observation of gas hydrates growth hosted in porous media Zhao, Jiafei
 2014
 612 C p. 124-128
5 p.
 artikel
37 Luminescence of superdispersed systems by the example of KBr:Tl. Part 1 Bobkova, I.S.
 2014
 612 C p. 111-116
6 p.
 artikel
38 Microcrystalline phase transformation from ZrF4·HF·2H2O to ZrO2 through the intermediate phases ZrF4·3H2O, ZrF4·H2O, Zr2OF6·H2O and ZrF4 Dey, C.C.
 2014
 612 C p. 8-13
6 p.
 artikel
39 Monte Carlo simulations in the preferential oxidation of carbon monoxide on a copper-ceria catalyst Cortés, Joaquín
 2014
 612 C p. 97-100
4 p.
 artikel
40 Nature of stokes shifted dual fluorescence in 2-acetyl-pyrrole: Tuning between intramolecular hydrogen bonding and ESIPT pathways Singla, Nidhi
 2014
 612 C p. 25-32
8 p.
 artikel
41 Nonlinear absorption and scattering properties of copper sulfide nanocrystals Li, Zhong-guo
 2014
 612 C p. 219-222
4 p.
 artikel
42 Novel planar chain like Li7F7 and Li9F9 nanostructures Srivastava, Ambrish Kumar
 2014
 612 C p. 302-305
4 p.
 artikel
43 On the oxidation state of ‘Fe’ in LaFe1−x Ni x O3 Idrees, M.
 2014
 612 C p. 262-265
4 p.
 artikel
44 Ordering molecular energies by moving boxes Restrepo, Guillermo
 2014
 612 C p. 51-55
5 p.
 artikel
45 Origins of threefold rotational barriers of molecule containing two methyl groups: Ethyl propionate as paradigm Dutta, Bipan
 2014
 612 C p. 89-96
8 p.
 artikel
46 Pressure-induced irreversible phase transitions of the monoclinic GdOOH nanorods at ambient temperature Zhang, Chuanchao
 2014
 612 C p. 138-142
5 p.
 artikel
47 Solvent effects on the metal-to-ligand charge transfer transition of the complex [Ru(NH3)5(Pyrazine)]2+ Chagas, Marcelo A.
 2014
 612 C p. 78-83
6 p.
 artikel
48 Spectroscopic signature for ferroelectric ice Wójcik, Marek J.
 2014
 612 C p. 162-166
5 p.
 artikel
49 Statistically based assessment of formation enthalpy for intermetallic compounds Zhang, R.F.
 2014
 612 C p. 177-181
5 p.
 artikel
50 Strain influence on optical absorption of giant semiconductor colloidal quantum dots Pahomi, Tudor E.
 2014
 612 C p. 33-38
6 p.
 artikel
51 Structural and electronic properties of the P3HT–PCBM dimer: A theoretical Study Gutiérrez-González, Israel
 2014
 612 C p. 234-239
6 p.
 artikel
52 Structural and interaction parameters of thermosensitive native α-elastin biohybrid microgel Balaceanu, Andreea
 2014
 612 C p. 182-189
8 p.
 artikel
53 Structures and electronic properties of metal organic frameworks: DFT and ab initio FMO calculations for model systems Sugimoto, Takuya
 2014
 612 C p. 295-301
7 p.
 artikel
54 Synthesis of SnS/In2S3 core–shell nanoparticles Prastani, C.
 2014
 612 C p. 306-308
3 p.
 artikel
55 Terahertz vibration-rotation-tunneling spectroscopy of the propane–water dimer: The ortho-state of a 20cm−1 torsion Lin, Wei
 2014
 612 C p. 167-171
5 p.
 artikel
56 The effect of polymer chain length on the mechanical properties of triblock copolymer gels Chantawansri, Tanya L.
 2014
 612 C p. 157-161
5 p.
 artikel
57 Thermodynamic characterization of two layers of CO2 on a graphite surface Trinh, T.T.
 2014
 612 C p. 214-218
5 p.
 artikel
58 Time-dependent Born charges of lithium borate melts by ab initio molecular dynamics Ohkubo, Takahiro
 2014
 612 C p. 68-72
5 p.
 artikel
59 Time-optimized quantum gates on linear three-qubit systems with indirect Ising coupling Wei, Daxiu
 2014
 612 C p. 143-150
8 p.
 artikel
60 Vibronic spectrum of jet-cooled 2-chloro-5-fluorobenzyl radical: Assignments and substituent effect Chae, Sang Youl
 2014
 612 C p. 134-137
4 p.
 artikel
                             60 gevonden resultaten
 
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