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                             93 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 AIM and BET approach for ionic and covalent bond evolution in reaction of hydrogen elimination from ammonia and lithium hydride Kalinowski, J.
 2011
 501 4-6 p. 587-593
7 p.
 artikel
2 A new formulation of two-time correlation functions of Markov chains applied to gene networks Feng, Haidong
 2011
 501 4-6 p. 562-566
5 p.
 artikel
3 Assisted crystal growing by tempering metastable vapor–liquid fluids Odriozola, Gerardo
 2011
 501 4-6 p. 466-469
4 p.
 artikel
4 A theoretical study of the near edge X-ray absorption fine structure of amino acids and proteins Buckley, Matthew W.
 2011
 501 4-6 p. 540-546
7 p.
 artikel
5 A unified treatment of polar solvation using electrostatic fluctuations Stenhammar, Joakim
 2011
 501 4-6 p. 364-368
5 p.
 artikel
6 Author Index 2011
 501 4-6 p. 628-637
10 p.
 artikel
7 Carbon coated Nb2O5 nanowires as enhanced field emitters Prabhakar, Rajiv Ramanujam
 2011
 501 4-6 p. 431-436
6 p.
 artikel
8 Carbon nanotube as a gramicidin analogue Hilder, Tamsyn A.
 2011
 501 4-6 p. 423-426
4 p.
 artikel
9 Car–Parrinello molecular dynamics simulations of infrared spectra of crystalline imidazole Kwiendacz, Jacek
 2011
 501 4-6 p. 623-627
5 p.
 artikel
10 Changes in fluorescent emission of cationic fluorophores in the presence of n-alkanes and alcohols in different polarity solvents Delgado-Camón, Arantzazu
 2011
 501 4-6 p. 547-553
7 p.
 artikel
11 Characteristics of a charged-droplet beam generated by vacuum electrospray of an ionic liquid Fujiwara, Yukio
 2011
 501 4-6 p. 335-339
5 p.
 artikel
12 Computational study of the hafnium (IV) ion in aqueous solution Messner, Christoph B.
 2011
 501 4-6 p. 292-295
4 p.
 artikel
13 Contents 2011
 501 4-6 p. iii-xxv
nvt p.
 artikel
14 Controlled synthesis and characterization of single crystalline MnO nanowires and Mn–Si oxide heterostructures by vapor phase deposition Banis, Mohammad Norouzi
 2011
 501 4-6 p. 470-474
5 p.
 artikel
15 Crystal structure and electronic properties of three phenylpropionic acid derivatives: A combined X-ray powder diffraction and quantum mechanical study Das, Uday
 2011
 501 4-6 p. 351-357
7 p.
 artikel
16 Curious properties of the Morse oscillator McCoy, Anne B.
 2011
 501 4-6 p. 603-607
5 p.
 artikel
17 Deformation-enhanced fluorescence resonance energy transfer Jee, Ah-Young
 2011
 501 4-6 p. 287-291
5 p.
 artikel
18 Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications Manzhos, Sergei
 2011
 501 4-6 p. 580-586
7 p.
 artikel
19 Doping influence on the ability to form single crystals Peng, Kun
 2011
 501 4-6 p. 330-334
5 p.
 artikel
20 Dynamic second-order hyperpolarizabilities of Si2C and Si3C clusters using coupled cluster singles-and-doubles response approach Lan, You-Zhao
 2011
 501 4-6 p. 409-413
5 p.
 artikel
21 Editorial Board 2011
 501 4-6 p. IFC-
1 p.
 artikel
22 Effect of polarization on the stability of a helix dimer Wang, Xing Y.
 2011
 501 4-6 p. 508-512
5 p.
 artikel
23 Effects of poly-l-tyrosine molecules decoration on the surface properties and electron transport of SWCNTs compared to the effects of DNA molecules Higashi, Toshiaki
 2011
 501 4-6 p. 451-454
4 p.
 artikel
24 Efficiency enhancement of copper contaminated radial p–n junction solar cells Boukai, Akram
 2011
 501 4-6 p. 153-158
6 p.
 artikel
25 Electronically modified single wall carbon nanohorns with iodine adsorption Khoerunnisa, Fitri
 2011
 501 4-6 p. 485-490
6 p.
 artikel
26 Electronic spectra and molecular geometry of the non-linear carbon chain C9H3 Zhao, D.
 2011
 501 4-6 p. 232-237
6 p.
 artikel
27 Electronic transitions of iridium monoboride Pang, H.F.
 2011
 501 4-6 p. 257-262
6 p.
 artikel
28 Energy of the quasi-free electron in dense neon Evans, C.M.
 2011
 501 4-6 p. 202-205
4 p.
 artikel
29 Evolution of magnetic nanophases of Ni embedded in Al2O3 (001) matrix by X-ray magnetic circular dichroism Thakur, P.
 2011
 501 4-6 p. 404-408
5 p.
 artikel
30 Excited-state relaxation processes of DPA-DSB: Investigation of the reason for high fluorescence quantum yield of symmetric D-π-D molecule He, Xing
 2011
 501 4-6 p. 296-299
4 p.
 artikel
31 Extrapolating wavefunction-based ab initio results from finite clusters to the bulk solid – The case of group 1 and 11 metals (Li,Cu) Stoll, Hermann
 2011
 501 4-6 p. 283-286
4 p.
 artikel
32 Fabrication of carbon nanotube/silicon nanowire array heterojunctions and their silicon nanowire length dependent photoresponses Cao, Yang
 2011
 501 4-6 p. 461-465
5 p.
 artikel
33 First principles investigations on the half metallic properties of Sr2MOsO6 (M=V, Mn, Fe, Co) Wang, Jing
 2011
 501 4-6 p. 324-329
6 p.
 artikel
34 Fluorescence dynamics in supercooled (acetamide+calcium nitrate) molten mixtures Gazi, Harun Al Rasid
 2011
 501 4-6 p. 358-363
6 p.
 artikel
35 Improved visible light absorption of HTaWO6 induced by nitrogen doping: An experimental and theoretical study Sun, Chenghua
 2011
 501 4-6 p. 427-430
4 p.
 artikel
36 Intercalation of P atoms in Fullerene-like CP x Gueorguiev, G.K.
 2011
 501 4-6 p. 400-403
4 p.
 artikel
37 Internal structure of Al hollow nanoparticles generated by laser ablation in liquid ethanol Viau, G.
 2011
 501 4-6 p. 419-422
4 p.
 artikel
38 Investigation of surface and non-local screening effects in the Ni 2p core level photoemission spectra of NiO Mossanek, R.J.O.
 2011
 501 4-6 p. 437-441
5 p.
 artikel
39 Investigation on the red shift of charge transfer excitation spectra for nano-sized Y2O3:Eu3+ Shang, Chunyu
 2011
 501 4-6 p. 480-484
5 p.
 artikel
40 Iron location in O-carboxymethyl chitosans determined by X-ray absorption spectroscopy Klepka, Marcin T.
 2011
 501 4-6 p. 523-527
5 p.
 artikel
41 Jet-cooled laser-induced dispersed fluorescence spectroscopy of ScN: Observation of a 3Σ+ state Mukund, Sheo
 2011
 501 4-6 p. 221-225
5 p.
 artikel
42 Kinetics and mechanism of gas-phase reaction of CF3CF2CF2CF2CF2CF2CF2CF2H with OH radicals in an environmental reaction chamber at 253–328K Chen, L.
 2011
 501 4-6 p. 263-266
4 p.
 artikel
43 Local entropy difference upon a substrate binding of a psychrophilic α-amylase and a mesophilic homologue Kosugi, Takahiro
 2011
 501 4-6 p. 517-522
6 p.
 artikel
44 Luminescence of tetraphenylporphyrin by an energy transfer from photoexcited ZnO nanoparticle Hiromitsu, Ichiro
 2011
 501 4-6 p. 385-389
5 p.
 artikel
45 Microwave-controlled ultrafast synthesis of uniform silver nanocubes and nanowires Zhao, Tian
 2011
 501 4-6 p. 414-418
5 p.
 artikel
46 Molecular mechanism of hydrocarbons binding to the metal–organic framework Sun, Xiuquan
 2011
 501 4-6 p. 455-460
6 p.
 artikel
47 Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers Yonezawa, Yasushige
 2011
 501 4-6 p. 598-602
5 p.
 artikel
48 Non-thermal reaction triggered by a stimulated Raman process using 5-fs laser pulses in the electronic ground state: Claisen rearrangement of allyl phenyl ether Iwakura, Izumi
 2011
 501 4-6 p. 567-571
5 p.
 artikel
49 On the bonding of Ga2, structures of Ga n clusters and the relation to the bulk structure of gallium Gaston, N.
 2011
 501 4-6 p. 375-378
4 p.
 artikel
50 Optimal laser control of molecular photoassociation along with vibrational stabilization de Lima, Emanuel F.
 2011
 501 4-6 p. 267-272
6 p.
 artikel
51 Path integral molecular dynamics simulation of quasi-free rotational motion of CO doped in a large para-hydrogen cluster Mizumoto, Yoshihiko
 2011
 501 4-6 p. 304-307
4 p.
 artikel
52 Performances of recently-proposed functionals for describing disulfide radical anions and similar systems Dumont, Élise
 2011
 501 4-6 p. 245-251
7 p.
 artikel
53 Photoelectrochemical hydrogen production on Cu2ZnSnS4/Mo-mesh thin-film electrodes prepared by electroplating Ma, Guijun
 2011
 501 4-6 p. 619-622
4 p.
 artikel
54 Photophysics and halide quenching of Soret-excited ZnTPPS4− in aqueous media Szmytkowski, Jędrzej
 2011
 501 4-6 p. 278-282
5 p.
 artikel
55 Photoresponse enhancement by anisotropic shape of a microscale freestanding solid-state bridge of a polythiophene-based polymer Kim, Daeyoung
 2011
 501 4-6 p. 340-344
5 p.
 artikel
56 Potential energy surfaces and mechanisms for activation of ethane by gas-phase Pt+: A density functional study Ye, Peng
 2011
 501 4-6 p. 554-561
8 p.
 artikel
57 Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations Kreck, Cara A.
 2011
 501 4-6 p. 273-277
5 p.
 artikel
58 Probing the structures and thermodynamic characteristics of the environment polluting mercuric halides, cyanides and thiocyanates Majumdar, D.
 2011
 501 4-6 p. 308-314
7 p.
 artikel
59 Prototype of a scalable core–shell Cu2O/TiO2 solar cell Li, Dongdong
 2011
 501 4-6 p. 446-450
5 p.
 artikel
60 Quantum chemical study of copper (II) chloride and the Deacon reaction Suleiman, Ibrahim A.
 2011
 501 4-6 p. 215-220
6 p.
 artikel
61 Quantum dynamics of H+LiH+ reaction on its electronic ground state Roy, Tanmoy
 2011
 501 4-6 p. 252-256
5 p.
 artikel
62 Raman spectra and temperature-dependent Raman scattering of carbon nanoscrolls Zhou, Hai-qing
 2011
 501 4-6 p. 475-479
5 p.
 artikel
63 Reaction mechanism of isoflavone O-methyltransferase: A theoretical investigation Cui, Feng-Chao
 2011
 501 4-6 p. 502-507
6 p.
 artikel
64 Repair of magnetism in oxidized graphene nanoribbons Boukhvalov, D.W.
 2011
 501 4-6 p. 396-399
4 p.
 artikel
65 Rotational and vibrational energy levels of methane calculated from a new potential energy surface Nikitin, Andrei V.
 2011
 501 4-6 p. 179-186
8 p.
 artikel
66 Rotational dynamics of propylene in ZSM-5 zeolitic frameworks Gautam, Siddharth
 2011
 501 4-6 p. 345-350
6 p.
 artikel
67 Separation of motions of atomic cores and valence electrons in molecules Mohallem, José R.
 2011
 501 4-6 p. 575-579
5 p.
 artikel
68 Singlet oxygen production by fluorescence resonance energy transfer (FRET) from green and orange CdSe/ZnS QDs to protoporphyrin IX (PpIX) Duong, Hong Dinh
 2011
 501 4-6 p. 496-501
6 p.
 artikel
69 Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet Zope, Rajendra R.
 2011
 501 4-6 p. 193-196
4 p.
 artikel
70 Spectroscopic and computational insight into weak noncovalent interactions in crystalline pyrimidine Wright, Ashley M.
 2011
 501 4-6 p. 319-323
5 p.
 artikel
71 Substrate specificity of papain dynamic structures for peptides consisting of 8–10 GLY residues Nishiyama, Katsuhiko
 2011
 501 4-6 p. 513-516
4 p.
 artikel
72 Synthesis and vibrating properties ZnSe/Ge bi-axial heterostructural nanowires Xu, Xiaofeng
 2011
 501 4-6 p. 491-495
5 p.
 artikel
73 Temperature dependence of laser-induced fluorescence of Tb 3 + in molten LiCl–KCl eutectic Jung, E.C.
 2011
 501 4-6 p. 300-303
4 p.
 artikel
74 Temperature dependence of relaxation time of a stable radical pair in SyPixD investigated by pulsed EPR Kondo, Toru
 2011
 501 4-6 p. 528-533
6 p.
 artikel
75 Temperature (290–400K) and pressure (5–900Torr) dependence of the kinetics of the reactions of chlorine atoms with propene and 1-butene Kaiser, E.W.
 2011
 501 4-6 p. 187-192
6 p.
 artikel
76 The excited states of a porphine–quinone complex under an external electrostatic field calculated by TDDFT Aittala, Pekka J.
 2011
 501 4-6 p. 226-231
6 p.
 artikel
77 The infrared spectrum of spessartine Mn 3 Al 2 Si 3 O 12 : An ab initio all electron simulation with five different functionals (LDA, PBE, PBESOL, B3LYP and PBE0) Maschio, L.
 2011
 501 4-6 p. 612-618
7 p.
 artikel
78 Theoretical investigation of the effect of rotational excitation on the stereodynamics of the O ( 3 P ) + H 2 → OH + H reaction Liu, Shili
 2011
 501 4-6 p. 197-201
5 p.
 artikel
79 Theoretical study of the adsorption and dissociation of azobenzene on the rutile TiO2(110) surface Prates Ramalho, J.P.
 2011
 501 4-6 p. 379-384
6 p.
 artikel
80 Theoretical study on mechanisms of structural rearrangement and ionic dissociation in the HCl(H2O)4 cluster with path-integral molecular dynamics simulations Sugawara, Shuichi
 2011
 501 4-6 p. 238-244
7 p.
 artikel
81 Theoretical study on the electronic structures and intramolecular charge transfer of naamine A, naamidine A and naamidine G Jiang, Kai
 2011
 501 4-6 p. 534-539
6 p.
 artikel
82 The role of hydrocarbon concentration on the synthesis of large area few to multi-layer graphene structures Dervishi, Enkeleda
 2011
 501 4-6 p. 390-395
6 p.
 artikel
83 The role of Ru atoms toward the dehydrogenation of ethanol on Ru/ZrO2(111) surface Chen, Yu-Wei
 2011
 501 4-6 p. 315-318
4 p.
 artikel
84 The rovibrational structure of the Kr–HF complex from an ab initio interaction potential Wang, Zhongquan
 2011
 501 4-6 p. 206-210
5 p.
 artikel
85 The surprising oxidation state of fumed silica and the nature of water binding to silicon oxides and hydroxides Wang, Tsang-Hsiu
 2011
 501 4-6 p. 159-165
7 p.
 artikel
86 The ‘tailored’ CCSD(T) description of the automerization of cyclobutadiene Lyakh, Dmitry I.
 2011
 501 4-6 p. 166-171
6 p.
 artikel
87 The use of unsymmetrical one-range addition theorems of Slater type orbitals for the calculation of intermolecular Coulomb interaction energy Guseinov, I.I.
 2011
 501 4-6 p. 594-597
4 p.
 artikel
88 Topological efficiency of C66 fullerene Vukicevic, Damir
 2011
 501 4-6 p. 442-445
4 p.
 artikel
89 Two-photon excitation of 2,5-diphenyloxazole using a low power green solid state laser Luchowski, Rafal
 2011
 501 4-6 p. 572-574
3 p.
 artikel
90 Unique optical properties of silver cluster-biochromophore hybrids: Comparison with copper and gold Kulesza, Alexander
 2011
 501 4-6 p. 211-214
4 p.
 artikel
91 Vibrational predissociation spectroscopy and theory of Ar-tagged, protonated Imidazole (Im) Im1–3H+·Ar clusters Gerardi, Helen K.
 2011
 501 4-6 p. 172-178
7 p.
 artikel
92 Vibrational spectroscopy of nitroaromatic self-assembled monolayers under extreme conditions Fu, Yuanxi
 2011
 501 4-6 p. 369-374
6 p.
 artikel
93 Zero-field splitting of compact trimethylenemethane analogue radicals with density functional theory Perumal, Sathya S.R.R.
 2011
 501 4-6 p. 608-611
4 p.
 artikel
                             93 gevonden resultaten
 
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