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                             75 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 A large enhancement of (hyper)polarizabilities of polyyne capped by Cu Lan, You-Zhao
 2014
 608 C p. 308-313
6 p.
 artikel
2 A molecular dynamics study of the relaxation of an excited molecule in crystalline nitromethane Rivera-Rivera, Luis A.
 2014
 608 C p. 120-125
6 p.
 artikel
3 An anomalous dipole–dipole arrangement of water molecules encapsulated into C60 dimer Nomura, Kazuya
 2014
 608 C p. 351-354
4 p.
 artikel
4 An efficient initial guess formation of broken-symmetry solutions by using localized natural orbitals Shoji, Mitsuo
 2014
 608 C p. 50-54
5 p.
 artikel
5 An unusual mechanism for HOMO–LUMO gap narrowing in a minimal near-IR dye generated by the deprotonation of bis(dicyanomethylene)indan Fujisawa, Jun-ichi
 2014
 608 C p. 355-359
5 p.
 artikel
6 Axial ligand effects on the diradical characters and second hyperpolarizabilities of open-shell singlet transition-metal dinuclear complexes Yamada, Taishi
 2014
 608 C p. 68-73
6 p.
 artikel
7 Beryllium decorated armchair boron nitride nanoribbon: A new planar tetracoordinate nitride containing system with enhanced conductivity Xiao, Bo
 2014
 608 C p. 277-283
7 p.
 artikel
8 Bound state spectra and properties of the doublet states in three-electron atomic systems Frolov, Alexei M.
 2014
 608 C p. 191-200
10 p.
 artikel
9 Characterization of structure and energy of Ti x C y cluster at early formation stage in iron matrix by molecular dynamics Lv, Yanan
 2014
 608 C p. 40-44
5 p.
 artikel
10 Coil–helix transition of biopolymer confined in finite cylinder Sun, Tingting
 2014
 608 C p. 74-79
6 p.
 artikel
11 Collins’s rule, Hofmeister effects and ionic dispersion interactions Duignan, Timothy T.
 2014
 608 C p. 55-59
5 p.
 artikel
12 Comparison of DFT and ab initio QM/MM methods for modelling reaction in chorismate synthase Lawan, Narin
 2014
 608 C p. 380-385
6 p.
 artikel
13 Contents 2014
 608 C p. iii-xxi
nvt p.
 artikel
14 Controlling spin diffusion by tailored rf-irradiation schemes Wittmann, Johannes J.
 2014
 608 C p. 60-67
8 p.
 artikel
15 Convergence of attenuated second order Møller–Plesset perturbation theory towards the complete basis set limit Goldey, Matthew B.
 2014
 608 C p. 249-254
6 p.
 artikel
16 Cross sections for electron scattering from α -tetrahydrofurfuryl alcohol Duque, H.V.
 2014
 608 C p. 161-166
6 p.
 artikel
17 Determination of photoinduced and intrinsic birefringences in PMMA/DR13 guest-host film Dall’Agnol, Fernando Fuzinatto
 2014
 608 C p. 102-105
4 p.
 artikel
18 Direct observation of large shock impedance jump upon shock-induced densification of powdered materials confirmed by in situ shock pressure and particle velocity measurements Kobayashi, Takamichi
 2014
 608 C p. 157-160
4 p.
 artikel
19 Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study Roztoczyńska, Agnieszka
 2014
 608 C p. 264-268
5 p.
 artikel
20 Editorial Board 2014
 608 C p. IFC-
1 p.
 artikel
21 Effects of microsolvation on the relative stability of zwitterionic vs. canonical proline Kim, Ju-Young
 2014
 608 C p. 177-185
9 p.
 artikel
22 Effects of the magnetic anchoring groups on spin-dependent transport properties of Ni(dmit)2 device Yan, Shenlang
 2014
 608 C p. 28-34
7 p.
 artikel
23 Electrodynamical forbiddance of strong quadrupole light–molecule interaction and peculiarities of the SEHR spectra in the methane molecule Chelibanov, V.P.
 2014
 608 C p. 344-350
7 p.
 artikel
24 Electron impact dissociation and VUV photoabsorption of frozen formamide Sivaraman, B.
 2014
 608 C p. 404-407
4 p.
 artikel
25 Facilitation of the reduction of Pd(II) by the glass surface – Development of a glass-supported palladium catalyst Nishiwaki, Nagatoshi
 2014
 608 C p. 340-343
4 p.
 artikel
26 Influence of damped propagation of dopant on the static and frequency-dependent third nonlinear polarizability of quantum dot Pal, Suvajit
 2014
 608 C p. 284-288
5 p.
 artikel
27 Is there an attractive interaction between two methyl groups? Zhuo, Hong-Ying
 2014
 608 C p. 90-94
5 p.
 artikel
28 Jump diffusion in the strong-collision model on a two-dimensional triangular lattice Elkoraychy, E.
 2014
 608 C p. 360-365
6 p.
 artikel
29 Kinetics of the mechanochemical synthesis of alkaline-earth metal amides Garroni, Sebastiano
 2014
 608 C p. 80-83
4 p.
 artikel
30 Magnetic and optical properties of N-doped, Fe-doped and (N, Fe)-codoped anatase TiO2 Chen, Lin
 2014
 608 C p. 186-190
5 p.
 artikel
31 Nonlinear optical properties of multipyrrole dyes Frenette, Mathieu
 2014
 608 C p. 303-307
5 p.
 artikel
32 On divorcing isomers, dissecting reactivity, and resolving mechanisms of propane CH and aryl CX (X=halogen) bond activations mediated by a ligated copper(III) oxo complex Rijs, Nicole J.
 2014
 608 C p. 408-424
17 p.
 artikel
33 On the influence of surfactant over friction properties of steel Upadhyay, R.K.
 2014
 608 C p. 167-172
6 p.
 artikel
34 On the lowest-energy structure of binary Zn–Cd nanoparticles: Size and composition Zanvettor, C.M.A.
 2014
 608 C p. 373-379
7 p.
 artikel
35 Optical interference effect corrections for absorbance spectra of layer-by-layer thin films bearing covalently bound dye Saydjari, Andrew
 2014
 608 C p. 328-333
6 p.
 artikel
36 Oxygen release from nanobubbles adsorbed on hydrophobic particles Zhao, Wanchen
 2014
 608 C p. 224-228
5 p.
 artikel
37 Photoisomerization and reorientational mobility of symmetric carbocyanines in AOT/alkane/polar solvent microemulsions Dandapat, Manika
 2014
 608 C p. 113-119
7 p.
 artikel
38 Photo-less catalysis of TiO2-reduced graphene oxides Jin, Chunji
 2014
 608 C p. 229-234
6 p.
 artikel
39 Polycrystalline Si nanocorals/CdS quantum dots composited solar cell with efficient light harvesting and surface passivation Feng, Wuliang
 2014
 608 C p. 314-318
5 p.
 artikel
40 Polymer stabilized silver nanoparticle: An efficient catalyst for proton-coupled electron transfer reaction and the electrochemical recognition of biomolecule Choudhary, Meenakshi
 2014
 608 C p. 145-151
7 p.
 artikel
41 Potential energy surfaces for the C2 ( X 1 Σ g + , a 3 Π u ) +H ( 2 S ) system. Application: Rotational dynamics of C2 ( X 1 Σ g + ) on the ground adiabatic and diabatic 2 A ′ surfaces Najar, F.
 2014
 608 C p. 17-23
7 p.
 artikel
42 Proton vibrations in 2,4,6-trimethylpyridinium pentachlorophenolate Majerz, Irena
 2014
 608 C p. 289-294
6 p.
 artikel
43 Quantum/molecular mechanics study of firefly bioluminescence on luciferase oxidative conformation Pinto da Silva, Luís
 2014
 608 C p. 45-49
5 p.
 artikel
44 Reversible recombination in spin chemistry Sosnovsky, D.V.
 2014
 608 C p. 136-139
4 p.
 artikel
45 Ring currents in silicon tetramer (Si4, Si4 2+) and planar tetracoordinate carbon doped cluster Si4C2+: σ versus π aromaticity Tam, Nguyen Minh
 2014
 608 C p. 255-263
9 p.
 artikel
46 Single-shot time resolved study of the photo-reversible phase transition induced in flakes of Ti3O5 nanoparticles at room temperature Ould-Hamouda, A.
 2014
 608 C p. 106-112
7 p.
 artikel
47 Site-specific fragmentation probabilities deduced from O+–CO+ molecular frame photoelectron angular distributions from CO2 Tsuru, Shota
 2014
 608 C p. 152-156
5 p.
 artikel
48 Site-specific polarizabilities from analytic linear-response theory Peralta, Juan E.
 2014
 608 C p. 24-27
4 p.
 artikel
49 Size dependent electrochemical properties of reduced graphite oxide Tran, Minh-Hai
 2014
 608 C p. 207-212
6 p.
 artikel
50 Sol–gel transition of organogels observed by terahertz spectroscopy Hoshina, Hiromichi
 2014
 608 C p. 173-176
4 p.
 artikel
51 Solvent solution-dependent properties of nonstoichiometric cubic Cu2ZnSnS4 nanoparticles Mkawi, E.M.
 2014
 608 C p. 393-397
5 p.
 artikel
52 Spatially-resolved spectroscopic investigations on the formation of PtSi by annealing on a silicon surface Kumar, Yogesh
 2014
 608 C p. 324-327
4 p.
 artikel
53 Spectroscopic observation of jet-cooled 2,5-dichlorobenzyl radical generated by corona discharge Yi, Eun Hye
 2014
 608 C p. 319-323
5 p.
 artikel
54 Spin polarization, orbital occupation and band gap opening in vanadium dioxide: The effect of screened Hartree–Fock exchange Wang, Hao
 2014
 608 C p. 126-129
4 p.
 artikel
55 State-specific solvation effect on the intramolecular charge transfer reaction in solution: A linear-response free energy TDDFT method Minezawa, Noriyuki
 2014
 608 C p. 140-144
5 p.
 artikel
56 Strong SHG responses predicted in binary metal halide crystal HgI2 Shi, Xuemei
 2014
 608 C p. 219-223
5 p.
 artikel
57 Structure and absorption of Co(III) azo complex dyes based on pyrrolinone esters: DFT and TD DFT study Luňák Jr., Stanislav
 2014
 608 C p. 213-218
6 p.
 artikel
58 Structure of a low-lying isomer of BOSi2, as a free-space planar cluster, using the Hartree–Fock method plus second order perturbations Forte, G.
 2014
 608 C p. 269-271
3 p.
 artikel
59 Surface sol–gel growth of ultrathin SiO2 films on roughened Au electrodes: Extending borrowed SERS to a SERS inactive material Wu, Qiao
 2014
 608 C p. 35-39
5 p.
 artikel
60 The boron conundrum: Bonding in the bowl B30 and B36, fullerene B40 and triple ring B42 clusters Pham, Hung Tan
 2014
 608 C p. 295-302
8 p.
 artikel
61 The covariance of the differences between experimental and theoretical chemical shifts as an aid for assigning two-dimensional heteronuclear correlation solid-state NMR spectra Czernek, Jiří
 2014
 608 C p. 334-339
6 p.
 artikel
62 The dependence of SO3 dissociation on the diameter of single-wall carbon nanotubes based on first-principles calculations Shen, Wei
 2014
 608 C p. 1-5
5 p.
 artikel
63 The effect of oxygen-plasma treatment on the mechanical and piezoelectrical properties of ZnO nanorods Hussain, Mushtaque
 2014
 608 C p. 235-238
4 p.
 artikel
64 The effects of defects in CO2 diffusion through carbon nanotubes Mantzalis, D.
 2014
 608 C p. 244-248
5 p.
 artikel
65 The nature of oxygen states on the surfaces of CeO2 and La-doped CeO2 Keating, Patrick R.L.
 2014
 608 C p. 239-243
5 p.
 artikel
66 Theoretical insight towards the photo-dissociation dynamics of O3–H2O complex: Deep understanding the source of atmospheric hydroxyl radical Wang, Xing
 2014
 608 C p. 95-101
7 p.
 artikel
67 Theoretical investigation of local proton conductance in the proton exchange membranes Singh, Raman K.
 2014
 608 C p. 11-16
6 p.
 artikel
68 Theoretical kinetic study of the unimolecular decomposition of 2-bromopropene Bracco, Larisa L.B.
 2014
 608 C p. 386-392
7 p.
 artikel
69 Theoretical study on the atmospheric reaction of SO2 with the HO2 and HO2·H2O complex formation HSO4 and H2SO3 Chen, Xiayu
 2014
 608 C p. 272-276
5 p.
 artikel
70 Theoretical study on the interactions between ionic liquid and solute molecules for typical separation problems Dai, Yafen
 2014
 608 C p. 366-372
7 p.
 artikel
71 The role of dimerization on the structure transformation of arginine in gas phase Li, Hongbao
 2014
 608 C p. 398-403
6 p.
 artikel
72 Unusual behavior of the pyrimidine–2-hydroxypyrimidine heterodimer isolated in argon matrices Plokhotnichenko, Alexander M.
 2014
 608 C p. 84-89
6 p.
 artikel
73 Vibrational corrections to hyperpolarizabilities of the O3, SO2, N2O and CO2 molecules: A comparison between variational and perturbation methods Naves, Emílio S.
 2014
 608 C p. 130-135
6 p.
 artikel
74 Vibronic emission spectroscopy of benzyl-type radicals: Jet-cooled 2-fluoro-5-chlorobenzyl radical Yoon, Young Wook
 2014
 608 C p. 6-10
5 p.
 artikel
75 Zinc ion induced prefibrillar oligomerization of Aβ peptides: From nanocoin to nanobelt Liu, Yibiao
 2014
 608 C p. 201-206
6 p.
 artikel
                             75 gevonden resultaten
 
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