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                             76 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 Ab initio molecular dynamics study of the Helmholtz layer formed on solid–liquid interfaces and its capacitance Ando , Yasunobu
 2013
 556 C p. 9-12
4 p.
 artikel
2 A liquid-state theory for electron correlation functions and thermodynamics Zhao, Shuangliang
 2013
 556 C p. 336-340
5 p.
 artikel
3 Anisotropic magnetic susceptibility of exotic nematics in multipolar hard spherical colloids Ramirez-Sanchez , R.
 2013
 556 C p. 320-324
5 p.
 artikel
4 Assessment of local response dispersion method for open-shell systems Ikabata, Yasuhiro
 2013
 556 C p. 386-392
7 p.
 artikel
5 Bilaterally symmetric facial morphology simulated by diffusion-controlled chemical precipitation in gel Petruska, John
 2013
 556 C p. 315-319
5 p.
 artikel
6 Chemical modification of graphene oxide with carbethoxycarbene under microwave irradiation Xiao, Longqiang
 2013
 556 C p. 376-379
4 p.
 artikel
7 Collision dynamics of proton to formic acid at 5eV: The formation and evolution of protonated HCOOH Wang, Jing
 2013
 556 C p. 256-259
4 p.
 artikel
8 Competition between surface chemisorption and cage formation in Fe12O12 clusters Gutsev, G.L.
 2013
 556 C p. 211-216
6 p.
 artikel
9 Computational study on the effect of alkyl chain length on alkane–water interfacial width Cummings, Oneka T.
 2013
 556 C p. 65-69
5 p.
 artikel
10 Concerted and sequential pathways of proton-coupled electron transfer in hydrogen halide elimination Kalume, Aimable
 2013
 556 C p. 35-38
4 p.
 artikel
11 Conformational analysis of 1,4-butanediol: A microwave spectroscopy study Evangelisti , Luca
 2013
 556 C p. 55-58
4 p.
 artikel
12 Conjugation vs hyperconjugation in molecular structure of acrolein Shishkina, Svitlana V.
 2013
 556 C p. 18-22
5 p.
 artikel
13 Contents 2013
 556 C p. iii-xxi
nvt p.
 artikel
14 Controlling field-free molecular orientation with combined circularly and linearly polarized resonant pulses at low rotational temperatures Chi, Fangping
 2013
 556 C p. 350-354
5 p.
 artikel
15 Correlation of the O–H⋯N bonds energy with the excess compression of binary mixtures of pyridine and its methyl derivatives with methanol and water Czech, Bożena
 2013
 556 C p. 132-137
6 p.
 artikel
16 Density functional study of the activity of gold-supported ZSM-5 zeolites for nitrous oxide decomposition Maihom, Thana
 2013
 556 C p. 217-224
8 p.
 artikel
17 Diagnosis of iso-octane combustion in a shock tube by emission spectroscopy Zhang, Changhua
 2013
 556 C p. 13-17
5 p.
 artikel
18 Direct observation of spiropyran phosphorescence in imidazolium ionic liquids Naughton, Sean P.
 2013
 556 C p. 102-107
6 p.
 artikel
19 Editorial Board 2013
 556 C p. IFC-
1 p.
 artikel
20 Effect of oxygen on free radicals in DOPA–melanin complexes with netilmicin, diamagnetic Zn(II), and paramagnetic Cu(II) Zdybel, Magdalena
 2013
 556 C p. 278-286
9 p.
 artikel
21 Effect of spin ordering on structure and structural transitions in the (MnS)6 magic cluster Lewoczko, April D.
 2013
 556 C p. 207-210
4 p.
 artikel
22 Electron–electron attraction caused by dispersion forces in metal–ammonia solutions Chuev , Gennady N.
 2013
 556 C p. 138-141
4 p.
 artikel
23 Electronic structure of acetonitrile adsorbed on the anatase TiO2 (101) surface Sumita , Masato
 2013
 556 C p. 225-229
5 p.
 artikel
24 Electrostatic properties of water models evaluated by a long-range potential based solely on the Wolf charge-neutral condition Yonezawa, Yasushige
 2013
 556 C p. 308-314
7 p.
 artikel
25 Enhancement of photoisomerization of polymethine dyes in complexes with biomacromolecules Tatikolov, Alexander S.
 2013
 556 C p. 287-291
5 p.
 artikel
26 Exploring connections between phase-modulated heteronuclear dipolar decoupling schemes in solid-state NMR Mithu , Venus Singh
 2013
 556 C p. 325-329
5 p.
 artikel
27 How often is the minimum polarizability principle violated? Blair , Shamus A.
 2013
 556 C p. 346-349
4 p.
 artikel
28 Hybrid many-body-expansion/Shepard-interpolation method for constructing ab initio potential energy surfaces for quantum dynamics calculations Lin , Shi Ying
 2013
 556 C p. 393-397
5 p.
 artikel
29 Hydrogen bonding to xenon: A comparison with neon, argon and krypton complexes Gąszowski, Dawid
 2013
 556 C p. 59-64
6 p.
 artikel
30 Improved analysis of the effect of chain flexibility on the nematic to smectic-A phase transition Mukherjee, Prabir K.
 2013
 556 C p. 113-116
4 p.
 artikel
31 Increasing the efficiency of Monte Carlo simulation with sampling from an approximate potential Bandyopadhyay, Pradipta
 2013
 556 C p. 341-345
5 p.
 artikel
32 Influence of mole ratio of Si: C on the magnetic property of undoped and vanadium carbide doped 3C-SiC Wang, Hui
 2013
 556 C p. 142-145
4 p.
 artikel
33 Interaction of CdSe and ZnO nanocrystals with electron-donor and -acceptor molecules Dey, Sunita
 2013
 556 C p. 200-206
7 p.
 artikel
34 Interaction of NO with the TiO2(110) surface: A quantum chemical study Arndt, Marie
 2013
 556 C p. 98-101
4 p.
 artikel
35 Interplay between solvent models and predicted optical spectra: A TD-DFT study of 7-OH-coumarin Cerón-Carrasco , José P.
 2013
 556 C p. 122-126
5 p.
 artikel
36 Magnetic circular dichroism spectroscopy and electronic structures of C 3 symmetry buckybowls Mack, John
 2013
 556 C p. 188-194
7 p.
 artikel
37 Molecular dynamics study on binding free energy of Azurin–Cytochrome c551 complex Saito, Hiroaki
 2013
 556 C p. 297-302
6 p.
 artikel
38 Molecular machine as chemical-thermodynamic devices Lucia, Umberto
 2013
 556 C p. 242-244
3 p.
 artikel
39 Noncovalent interaction and its influence on excited-state behavior: A theoretical study on the mixed coaggregates of dicyanonaphthalene and pyrazoline Dai, Yulan
 2013
 556 C p. 230-236
7 p.
 artikel
40 Non-reversible solvatochromism in N-methyl-2-pyrrolidone/toluene mixed solutions of fullerene C60 Kyzyma, O.A.
 2013
 556 C p. 178-181
4 p.
 artikel
41 Observation of ionic desorption channels in cluster-induced desorption of alkali halides – Influence of surface electronic properties and surface configuration Lee , B.-J.
 2013
 556 C p. 77-81
5 p.
 artikel
42 On the ability of trehalose to offset the denaturing activity of urea Graziano, Giuseppe
 2013
 556 C p. 292-296
5 p.
 artikel
43 Photodissociation dynamics of nitromethane at 213nm studied by ion-imaging Kohge, Yasunori
 2013
 556 C p. 49-54
6 p.
 artikel
44 Physical gelation of organic liquids by achiral amino acid based amphiphilic gelators: Effect of chirality Pal, Amrita
 2013
 556 C p. 245-250
6 p.
 artikel
45 Probing the unusual isotope effects in ozone formation: Bath gas and pressure dependence of the non-mass-dependent isotope enrichments in ozone Feilberg, K.L.
 2013
 556 C p. 1-8
8 p.
 artikel
46 Reactant zero-point energy is needed to access the saddle point in molecular dynamics calculations of the association reaction H+C2D2 →C2D2H∗ Han, Yong-Chang
 2013
 556 C p. 39-43
5 p.
 artikel
47 Real-space adsorption studies of cyclooctyne on Si(001) Mette , G.
 2013
 556 C p. 70-76
7 p.
 artikel
48 Relaxation phenomena in supercooled liquid and glassy acetaminophen studied by dielectric, photon correlation and Brillouin light scattering spectroscopies Kwon, Hyun-Joung
 2013
 556 C p. 117-121
5 p.
 artikel
49 Resonantly enhanced multiphoton ionization and zero kinetic energy photoelectron spectroscopy of benzo[e]pyrene Harthcock, Colin
 2013
 556 C p. 23-28
6 p.
 artikel
50 Room-temperature ferromagnetism observed in C-/N-/O-implanted MgO single crystals Li, Qiang
 2013
 556 C p. 237-241
5 p.
 artikel
51 Self-assembly of a chlorophyll-based cyclic trimer: Structure and intramolecular energy transfer Gunderson, Victoria L.
 2013
 556 C p. 303-307
5 p.
 artikel
52 Sensitivity boosting in solid-state NMR of thin organic semiconductors by a paramagnetic dopant of copper phthalocyanine Nishiyama, Yusuke
 2013
 556 C p. 195-199
5 p.
 artikel
53 Shannon entropy density as a descriptor of Coulomb systems Nagy , Á.
 2013
 556 C p. 355-358
4 p.
 artikel
54 Single amino acid mutation in alpha-helical peptide affect second harmonic generation hyperpolarizability Wei, Jing
 2013
 556 C p. 260-265
6 p.
 artikel
55 Solvent effect on the complex formation of a crown ether derivative with sodium and potassium ions. Thermodynamic background of selectivity Li, Yin
 2013
 556 C p. 94-97
4 p.
 artikel
56 Stabilities and dissociation reactions of the Ir m (CO) n + ions observed in TOF-SIMS of Ir4(CO)12 thin layer Nakanaga, Taisuke
 2013
 556 C p. 44-48
5 p.
 artikel
57 Stability of Ge12C48 and Ge20C40 heterofullerenes: A first principles molecular dynamics study Massobrio, Carlo
 2013
 556 C p. 163-167
5 p.
 artikel
58 Statistical correction to effective interactions in the fragment molecular orbital method Tanaka , Shigenori
 2013
 556 C p. 272-277
6 p.
 artikel
59 Statistical thermodynamics of molecules with multiple adsorption states: Application to protein adsorption Quiroga , E.
 2013
 556 C p. 330-335
6 p.
 artikel
60 Structural and spectral characterizations of C1C2 channelrhodopsin and its mutants by molecular simulations Kamiya, Motoshi
 2013
 556 C p. 266-271
6 p.
 artikel
61 Structure and absorption properties of the C212 dye chemisorbed onto the TiO2 (101) anatase surface Ducasse, Laurent
 2013
 556 C p. 151-157
7 p.
 artikel
62 Structure and anion effect on conductivity and K and L shell fluorescence parameters at green solvents Aylıkcı, V.
 2013
 556 C p. 365-371
7 p.
 artikel
63 Structure, stability and superhalogen properties of sodium and magnesium borohydrides Paduani , C.
 2013
 556 C p. 173-177
5 p.
 artikel
64 Tailoring the photoluminescence characteristics of p-type GaSb: The role of surface chemical passivation Wang, Bo
 2013
 556 C p. 182-187
6 p.
 artikel
65 Temperature dependence of a1 and b2 type modes in the surface enhanced Raman from 4-Aminobenzenethiol Lordan, Frances
 2013
 556 C p. 158-162
5 p.
 artikel
66 Temperature effects on enzyme-catalyzed reactions within a cell: Monte Carlo simulations for coupled reaction and diffusion Nangia, Shivangi
 2013
 556 C p. 372-375
4 p.
 artikel
67 The amount of Ge tunes the atomic structure of amorphous Ge x Te1− x alloy Yan, N.
 2013
 556 C p. 108-112
5 p.
 artikel
68 The irradiation of pure CH3OH and 1:1 mixture of NH3:CH3OH ices at 30K using low energy electrons Jheeta, Sohan
 2013
 556 C p. 359-364
6 p.
 artikel
69 Theoretical and experimental study of the non-stoichiometric Li n I (n =3 and 5) clusters Đustebek, Jasmina
 2013
 556 C p. 380-385
6 p.
 artikel
70 The Raman spectrum of dimethylaminophenyl pentazole (DMAPP) Geiger, Uzi
 2013
 556 C p. 127-131
5 p.
 artikel
71 Thermal decomposition of 2-phenylethanol: A computational study on mechanism Sakai, Yasuyuki
 2013
 556 C p. 29-34
6 p.
 artikel
72 The SERS study of graphene deposited by gold nanoparticles with 785nm excitation Wang, Peijie
 2013
 556 C p. 146-150
5 p.
 artikel
73 Towards quantum-based modeling of enzymatic reaction pathways: Application to the acetylholinesterase catalysis Polyakov, Igor V.
 2013
 556 C p. 251-255
5 p.
 artikel
74 Transient absorption spectroscopy of the [Fe(2 CH3-phen)3]2+ complex: Study of the high spin↔low spin relaxation of an isolated iron(II) complex Gallé, G.
 2013
 556 C p. 82-88
7 p.
 artikel
75 Trapping states and excited state ionization of the Ce3+ activator in the SrHfO3 host Mihóková, E.
 2013
 556 C p. 89-93
5 p.
 artikel
76 Wavelength-dependent metal-enhanced fluorescence using synchronous spectral analysis Dragan, Anatoliy I.
 2013
 556 C p. 168-172
5 p.
 artikel
                             76 gevonden resultaten
 
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