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                             46 results found
no title author magazine year volume issue page(s) type
1 Ab initio studies of (H2O)20H+ and (H2O)21H+ prismic, fused cubic and dodecahedral clusters: can H3O+ ion remain in cage cavity? Khan, Arshad
 2000
 319 5-6 p. 440-450
11 p.
 article
2 Argon coated alkali halide clusters: the effect of the coating on the ionization and fragmentation dynamics Kolmakov, A.
 2000
 319 5-6 p. 465-471
7 p.
 article
3 A simple method for the continuous production of carbon nanotubes Ishigami, M.
 2000
 319 5-6 p. 457-459
3 p.
 article
4 A tracer study of a radical produced by UV irradiation on BaTi4O9 photocatalyst surface Kohno, M
 2000
 319 5-6 p. 451-456
6 p.
 article
5 Basis set and electron correlation effects on the first and second static hyperpolarizability of SO2 Xenides, Demetrios
 2000
 319 5-6 p. 618-624
7 p.
 article
6 Characterization of 3D molecular structure Estrada, Ernesto
 2000
 319 5-6 p. 713-718
6 p.
 article
7 Compensation temperature in molecularly doped polymers Soos, Z.G.
 2000
 319 5-6 p. 631-638
8 p.
 article
8 Detailed ab-initio analysis of the magnetic coupling in CuF2 Reinhardt, P
 2000
 319 5-6 p. 625-630
6 p.
 article
9 Detection of gas-phase species in MOCVD of GaN using molecular beam quadrupole mass spectrometry Schäfer, Jörg
 2000
 319 5-6 p. 477-481
5 p.
 article
10 Diagnostics of the gas-phase thermal decomposition of Si2H6 using vacuum ultraviolet photoionization Tonokura, Kenichi
 2000
 319 5-6 p. 507-511
5 p.
 article
11 Effects of diffusion on energy transfer in solution using a microsecond decay time rhenium metal–ligand complex as the donor Kuśba, Józef
 2000
 319 5-6 p. 661-668
8 p.
 article
12 Effects of the higher electron correlation correction on the calculated intermolecular interaction energies of benzene and naphthalene dimers: comparison between MP2 and CCSD(T) calculations Tsuzuki, Seiji
 2000
 319 5-6 p. 547-554
8 p.
 article
13 Enhancement of non-resonant non-linear refractive index with reduction of absorption in push–pull molecules by reduction of their donor group strength Chérioux, F
 2000
 319 5-6 p. 669-673
5 p.
 article
14 Excited-state absorption in luminescent conjugated polymer thin films: ultrafast studies of processable polyindenofluorene derivatives Silva, Carlos
 2000
 319 5-6 p. 494-500
7 p.
 article
15 Extended covalent solid forms of carbon dioxide with carbon–oxygen single bonds Bodor, Nicholas
 2000
 319 5-6 p. 645-649
5 p.
 article
16 H3 ++O: an experimental study Milligan, Daniel B.
 2000
 319 5-6 p. 482-485
4 p.
 article
17 Hybrid density functional approach to the structures and EPR parameters of σ-type iminoxy radicals: the case of 3-oxobutan-2-iminoxyl Jaszewski, Adrian R.
 2000
 319 5-6 p. 611-617
7 p.
 article
18 Infrared depletion spectroscopy suggests fast vibrational relaxation in the hydrogen-bonded aniline–tetrahydrofuran (C6H5–NH2⋯OC4H8) complex Chowdhury, P.K
 2000
 319 5-6 p. 501-506
6 p.
 article
19 Intramolecular photo-induced electron transfer between pyrene and a xanthene dye Pevenage, Dimitri
 2000
 319 5-6 p. 512-520
9 p.
 article
20 Molecular optical rotation: an evaluation of semiempirical models Polavarapu, Prasad L.
 2000
 319 5-6 p. 595-600
6 p.
 article
21 NC5NC: results of coupled cluster calculations and an unusual anharmonicity effect Botschwina, Peter
 2000
 319 5-6 p. 587-594
8 p.
 article
22 On the Dirac–Frenkel/McLachlan variational principle Raab, A.
 2000
 319 5-6 p. 674-678
5 p.
 article
23 On the mechanism of orientational photorefractivity in polymer dispersed nematics Golemme, A
 2000
 319 5-6 p. 655-660
6 p.
 article
24 Photoluminescence of [RhIII(phpy)2(CN)2]− (phpy−=ortho-metalated 2-phenylpyridine anion) Kunkely, Horst
 2000
 319 5-6 p. 486-488
3 p.
 article
25 Production and isolation of the isomers of dimetallofullerenes, HoTm@C82 and Tm2@C82 Kikuchi, Koichi
 2000
 319 5-6 p. 472-476
5 p.
 article
26 Proposals for the propagation of quantum time-dependent self-consistent field equations Jiang, Hong
 2000
 319 5-6 p. 555-562
8 p.
 article
27 Quantized non-adiabatic coupling terms to ensure diabatic potentials Baer, Michael
 2000
 319 5-6 p. 489-493
5 p.
 article
28 Quantum-mechanical study of the interaction of α-cyclodextrin with methyl mercury chloride Dos Santos, Hélio F.
 2000
 319 5-6 p. 569-575
7 p.
 article
29 Resonance phenomena in electron impact excitation of the fundamental vibrational modes of water El-Zein, A
 2000
 319 5-6 p. 701-707
7 p.
 article
30 Second harmonic spectroscopy: detection and orientation of molecules at a biomembrane interface Salafsky, J.S.
 2000
 319 5-6 p. 435-439
5 p.
 article
31 Self-reaction kinetics of the (CH3)2CHC(O)O2 and (CH3)3CC(O)O2 acylperoxy radicals between 275 and 363 K Tomas, Alexandre
 2000
 319 5-6 p. 521-528
8 p.
 article
32 Spin dynamics of the triplet Cr4+ in the vicinity of energy level anti-crossing Rakhimov, R.R.
 2000
 319 5-6 p. 639-644
6 p.
 article
33 Stability and geometry prediction for the inclusion complexes of mono- or 1,4-disubstituted benzenes and β-cyclodextrin using a genetic algorithm Cai, Wen-Sheng
 2000
 319 5-6 p. 708-712
5 p.
 article
34 Structural complexity of hydrogen-bonded networks Arteca, Gustavo A.
 2000
 319 5-6 p. 719-724
6 p.
 article
35 Temperature dependence of germylene reactions with acetylene, trimethylsilane, and phenylgermane Alexander, Ula N
 2000
 319 5-6 p. 529-534
6 p.
 article
36 The accuracy of molecular dipole moments in standard electronic structure calculations Bak, Keld L
 2000
 319 5-6 p. 563-568
6 p.
 article
37 The hydrogen abstraction reactions: a multireference Møller–Plesset perturbation (MRMP) theory study Kobayashi, Yuka
 2000
 319 5-6 p. 695-700
6 p.
 article
38 The isomerization of HOOBr to HOBrO Guha, Sujata
 2000
 319 5-6 p. 650-654
5 p.
 article
39 The 500 MHz to 5.50 GHz complex permittivity spectra of single-wall carbon nanotube-loaded polymer composites Grimes, C.A.
 2000
 319 5-6 p. 460-464
5 p.
 article
40 Theoretical prediction of the structures and properties of cyclic AlS2 and GaS2 systems at density functional theory and all-electron correlation levels Bu, Yuxiang
 2000
 319 5-6 p. 725-732
8 p.
 article
41 Theoretical study of microscopic solvation of LiCl in water clusters: LiCl(H2O) n (n=1–4) Bacelo, Daniel E.
 2000
 319 5-6 p. 679-686
8 p.
 article
42 Theoretical study on the photochemical reactions of butadiene, cyclobutene and bicyclobutane Sakai, Shogo
 2000
 319 5-6 p. 687-694
8 p.
 article
43 The pressure effect on the recombination and relaxation of hydrogen atoms in solid hydrogen Shevtsov, Valeri
 2000
 319 5-6 p. 535-541
7 p.
 article
44 Topology of electron correlation in the b 3 Σ + u state of the H2 molecule Cioslowski, Jerzy
 2000
 319 5-6 p. 542-546
5 p.
 article
45 UB1LYP hybrid density functional studies of the 2,2,6,6-tetramethyl-4-piperidone-oxyl (TEMPONE) hyperfine tensors Mattar, Saba M.
 2000
 319 5-6 p. 601-610
10 p.
 article
46 Use of relativistic effective core potentials in the calculation of total electron-impact ionization cross-sections Huo, Winifred M
 2000
 319 5-6 p. 576-586
11 p.
 article
                             46 results found
 
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