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                             61 gevonden resultaten
nr titel auteur tijdschrift jaar jaarg. afl. pagina('s) type
1 An ab initio study on some low-lying singlet and triplet states of SbO 2 + and quartet states of SbO2 Lee, Edmond P.F.
 2006
 429 4-6 p. 365-370
6 p.
 artikel
2 An effective temperature approach for molecular dynamics simulations of quantum solids Uranga-Piña, Ll.
 2006
 429 4-6 p. 450-456
7 p.
 artikel
3 A theoretical study of thermal decomposition of CF3CO, C2F5CO and C3F7CO Setokuchi, Osamu
 2006
 429 4-6 p. 360-364
5 p.
 artikel
4 Author Index 2006
 429 4-6 p. 647-658
12 p.
 artikel
5 ClONO and BrONO loss mechanisms in the presence of NO2: A quantum-mechanical study Lesar, A.
 2006
 429 4-6 p. 343-349
7 p.
 artikel
6 Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water Tofteberg, Terje
 2006
 429 4-6 p. 436-439
4 p.
 artikel
7 Comment on ‘ Te n S 4 + (n =1–4) clusters in the gas phase’ by D.M. David Jaba Singh and T. Pradeep [Chem. Phys. Lett. 417 (2006) 34] Špalt, Zbyněk
 2006
 429 4-6 p. 638-641
4 p.
 artikel
8 Contents 2006
 429 4-6 p. iii-xvii
nvt p.
 artikel
9 Density functional study of the Hoffmann elimination of (N-Cl),N-methylethanolamine in gas phase and in aqueous solution Ramos, D.R.
 2006
 429 4-6 p. 425-429
5 p.
 artikel
10 Density-functional theoretical study on hydrated DNA duplex: Effect of hydrating water molecules on HOMO distribution in DNA Tsukamoto, Takayuki
 2006
 429 4-6 p. 563-569
7 p.
 artikel
11 Dependence of ion–water distances on covalent radii, ionic radii in water and distances of oxygen and hydrogen of water from ion/water boundaries Heyrovska, Raji
 2006
 429 4-6 p. 600-605
6 p.
 artikel
12 Development and physico-chemical characterization of cyclodextrin–DNA complexes loaded liposomes Tavares, Guilherme D.
 2006
 429 4-6 p. 507-512
6 p.
 artikel
13 DFT study on second-order nonlinear optical properties of a series of mono Schiff-base M(II) (M=Ni, Pd, Pt) complexes Liu, Chun-Guang
 2006
 429 4-6 p. 570-574
5 p.
 artikel
14 Differential cross section for electron impact excitation of the a1Δg state of molecular oxygen in the 15–180° angular range Linert, Ireneusz
 2006
 429 4-6 p. 395-398
4 p.
 artikel
15 Double-quantum-filtered intermolecular single-quantum coherences in nuclear magnetic resonance spectroscopy and imaging Chen, Zhong
 2006
 429 4-6 p. 611-616
6 p.
 artikel
16 Editorial Board 2006
 429 4-6 p. CO2-
1 p.
 artikel
17 Effects of intra base-pairs flexibility on hole transfer coupling in DNA Sadowska-Aleksiejew, Anna
 2006
 429 4-6 p. 546-550
5 p.
 artikel
18 Efficient blue organic light-emitting devices based on novel anthracence derivatives with pronounced thermal stability and excellent film-forming property Tao, Silu
 2006
 429 4-6 p. 622-627
6 p.
 artikel
19 EPR investigation of local lattice structure of Mn2+ in diamagnetic garnets Li, Guangdong
 2006
 429 4-6 p. 586-589
4 p.
 artikel
20 Erratum to ‘SO3 revisited: Impact of tight d augmented correlation consistent basis sets on atomization energy and structure’ [Chem. Phys. Lett. 394 (2004) 105–109] Yockel, Scott
 2006
 429 4-6 p. 645-646
2 p.
 artikel
21 Extinction of photo-induced Ti3+ centres in titanium oxide gels and gel-based oxo-PHEMA hybrids Kuznetsov, A.I.
 2006
 429 4-6 p. 523-527
5 p.
 artikel
22 Fabrication and characterization of high-resolution AFM tips with high-quality double-wall carbon nanotubes Kuwahara, Shota
 2006
 429 4-6 p. 581-585
5 p.
 artikel
23 Fabrication and magnetic properties of Fe3O4 octahedra Hu, Chaoquan
 2006
 429 4-6 p. 513-517
5 p.
 artikel
24 Heteronuclear decoupling in rotating solids: Improving the efficacy of C N n ν symmetry-based tanh/tan adiabatic RF pulse schemes Riedel, Kerstin
 2006
 429 4-6 p. 590-594
5 p.
 artikel
25 Hydrogen bonding in strained cyclic vicinal diols: The birth of the hydrogen bond Klein, Roger A.
 2006
 429 4-6 p. 633-637
5 p.
 artikel
26 Identification of the intrinsic conformational properties of 1-aminocyclobutane-1-carboxylic acid Casanovas, Jordi
 2006
 429 4-6 p. 558-562
5 p.
 artikel
27 Inclusion of charge and polarizability fluxes provides needed physical accuracy in molecular mechanics force fields Palmo, Kim
 2006
 429 4-6 p. 628-632
5 p.
 artikel
28 Influence of coverage and adsorption orientation in the spectroscopy of methyl orange on silver colloids: Cl− effect Zhang, Aiping
 2006
 429 4-6 p. 518-522
5 p.
 artikel
29 Investigation of RuO2/4H–SiC Schottky diode contacts by deep level transient spectroscopy Buc, D.
 2006
 429 4-6 p. 617-621
5 p.
 artikel
30 Is methylene blue an appropriate substrate for a photocatalytic activity test? A study with visible-light responsive titania Yan, Xiaoli
 2006
 429 4-6 p. 606-610
5 p.
 artikel
31 Long-range electron and charge transfers in peptide bridging phthalimide and methyl aminoacetate radical systems: Super-exchange and hopping mechanisms Gao, Xiang
 2006
 429 4-6 p. 538-545
8 p.
 artikel
32 Low-frequency vibrations of crystalline α,α-trehalose dihydrate Takahashi, Masae
 2006
 429 4-6 p. 371-377
7 p.
 artikel
33 Non-intrinsic contribution to the partial molar volume of cavities in water Graziano, Giuseppe
 2006
 429 4-6 p. 420-424
5 p.
 artikel
34 On the OH-initiated degradation of methacrylates in the troposphere: Gas-phase kinetics and formation of pyruvates Blanco, María B.
 2006
 429 4-6 p. 389-394
6 p.
 artikel
35 Prediction of increased tunneling current by bond length stretch in molecular break junctions Hoft, R.C.
 2006
 429 4-6 p. 503-506
4 p.
 artikel
36 Predictive capacity of semi-empirical MNDO/PM3 and molecular mechanics MM2 estimations of the reactivity of cyclic nitrones as spin traps Dultsev, F.N.
 2006
 429 4-6 p. 445-449
5 p.
 artikel
37 Pressure-induced phase transitions in crystalline l-serine studied by single-crystal and high-resolution powder X-ray diffraction Boldyreva, E.V.
 2006
 429 4-6 p. 474-478
5 p.
 artikel
38 Pulsed-laser induced flocculation of carbon nanotubes solubilized by an anthracene-carrying polymer Narimatsu, Kaori
 2006
 429 4-6 p. 488-491
4 p.
 artikel
39 Quasiclassical trajectory study of the reaction of fast H atoms with C–H stretch excited CHD3 Xie, Zhen
 2006
 429 4-6 p. 355-359
5 p.
 artikel
40 Raman spectroscopic features of hydrogen-ordering in ice XII Salzmann, Christoph G.
 2006
 429 4-6 p. 469-473
5 p.
 artikel
41 Reply to the comment on ‘ Te n S 4 + (n =1–4) clusters in the gas phase’ by Z. Špalt, M. Alberti, and J. Havel Jeba Singh, D.M. David
 2006
 429 4-6 p. 642-644
3 p.
 artikel
42 Search for the Ar–NiCO complex: A solid neon investigation Tremblay, Benoît
 2006
 429 4-6 p. 464-468
5 p.
 artikel
43 Second harmonic generation from individual hybrid MnPS3-based nanoparticles investigated by nonlinear microscopy Delahaye, E.
 2006
 429 4-6 p. 533-537
5 p.
 artikel
44 Selectivity of water-soluble proteins in single-walled carbon nanotube dispersions Matsuura, Koji
 2006
 429 4-6 p. 497-502
6 p.
 artikel
45 Silicon nanocrystals formed by pulsed laser-induced fragmentation of electrochemically etched Si micrograins Švrček, Vladimir
 2006
 429 4-6 p. 483-487
5 p.
 artikel
46 Singlet excited state dynamics of uracil and thymine derivatives: A femtosecond fluorescence upconversion study in acetonitrile Gustavsson, Thomas
 2006
 429 4-6 p. 551-557
7 p.
 artikel
47 Size-dependent melting properties of tin nanoparticles Jiang, Hongjin
 2006
 429 4-6 p. 492-496
5 p.
 artikel
48 Size effect on the catalysis of gold clusters dispersed in water for aerobic oxidation of alcohol Tsunoyama, Hironori
 2006
 429 4-6 p. 528-532
5 p.
 artikel
49 Structural evolution and Raman study of nanocarbons from diamond nanoparticles Qiao, Zhijun
 2006
 429 4-6 p. 479-482
4 p.
 artikel
50 Structure of water adsorbed on the open Cu(110) surface: H-up, H-down, or both? Schiros, T.
 2006
 429 4-6 p. 415-419
5 p.
 artikel
51 Terahertz spectroscopy of 7-azaindole clusters in solution Fedor, Anna M.
 2006
 429 4-6 p. 405-409
5 p.
 artikel
52 The effect of ‘hot’ electrons on the heterogeneous adiabatic charge transfer reactions Nazmutdinov, Renat R.
 2006
 429 4-6 p. 457-463
7 p.
 artikel
53 The electronic spectrum of the micro-solvated alanine zwitterion calculated using the combined coupled cluster/molecular mechanics method Osted, Anders
 2006
 429 4-6 p. 430-435
6 p.
 artikel
54 Theoretical modeling of thermally activated luminescence quenching through charge transfer states in lanthanide complexes Faustino, W.M.
 2006
 429 4-6 p. 595-599
5 p.
 artikel
55 Theoretical study on HNC(1Σ) production from the C 2 ( X 1 Σ g + ) + NH ( X 3 Σ - ) reaction Takahashi, Kenta
 2006
 429 4-6 p. 399-404
6 p.
 artikel
56 Total cross-section measurements for electron collisions with α-tetrahydrofurfuryl alcohol (C5H10O2) Możejko, Paweł
 2006
 429 4-6 p. 378-381
4 p.
 artikel
57 Tunable photoluminescence for a novel silver–gold mixed metal system Larochelle, C.L.
 2006
 429 4-6 p. 440-444
5 p.
 artikel
58 Ultrafast capture of free electrons in optically ionized gases by the electron scavenger SF6 Kampfrath, Tobias
 2006
 429 4-6 p. 350-354
5 p.
 artikel
59 Ultrashort memory of the quasicrystalline order in water by optical Kerr effect spectroscopy Ratajska-Gadomska, B.
 2006
 429 4-6 p. 575-580
6 p.
 artikel
60 UV-induced photochemistry of methyl coumalate (methyl 2-pyrone-5-carboxylate) isolated in low-temperature inert matrices Reva, I.D.
 2006
 429 4-6 p. 382-388
7 p.
 artikel
61 Visible quantum cutting in Pr3+:PbWO4 crystal through energy transfer between the host and Pr3+ ions Xiong, Feibing
 2006
 429 4-6 p. 410-414
5 p.
 artikel
                             61 gevonden resultaten
 
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