Found: 25
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Molecular dynamics simulation of polystyrene- block-poly(methyl methacrylate).
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- Macromolecular Theory & Simulations, 1998, v. 7, n. 6, p. 619, doi. 10.1002/(SICI)1521-3919(19981101)7:6<619::AID-MATS619>3.0.CO;2-V
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- Article
The sol fraction and conversions in A<sub> a</sub>B<sub> b</sub> type polymerisation.
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- Macromolecular Theory & Simulations, 1995, v. 4, n. 6, p. 1055, doi. 10.1002/mats.1995.040040604
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- Article
Accurate potential surfaces for the ground state of H+C reaction.
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- European Physical Journal D (EPJ D), 2017, v. 71, n. 10, p. 1, doi. 10.1140/epjd/e2017-80414-1
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Reactive scattering for H<sup>+</sup> + H<sub>2</sub>: non-Born-Oppenheimer classical investigation.
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- European Physical Journal D (EPJ D), 2013, v. 67, n. 12, p. 1, doi. 10.1140/epjd/e2013-40516-4
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Direct ab initio study on the rate constants of radical C(AΠ) + CH reaction.
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- Journal of Molecular Modeling, 2013, v. 19, n. 3, p. 1009, doi. 10.1007/s00894-012-1616-8
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Theoretical mechanistic study of the reaction of the methylidyne radical with methylacetylene.
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- Journal of Molecular Modeling, 2011, v. 17, n. 12, p. 3173, doi. 10.1007/s00894-011-0979-6
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- Article
Calculations of the Rate Constants for the Hydrogen Abstraction Reactions C<sub>2</sub>H<sub>3</sub>+CH<sub>4</sub>→C<sub>2</sub>H<sub>4</sub>+CH<sub>3</sub> and C<sub>2</sub>H<sub>3</sub>+C<sub>2</sub>H<sub>6</sub>→C<sub>2</sub>H<sub>4</sub>+C<sub>2</sub>H<sub>5</sub>
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- ChemPhysChem, 2002, v. 3, n. 7, p. 625, doi. 10.1002/1439-7641(20020715)3:7<625::AID-CPHC625>3.0.CO;2-A
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Theoretical study on the potential energy surface of NC<sub>3</sub>P isomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2007, v. 118, n. 4, p. 739, doi. 10.1007/s00214-007-0366-7
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- Article
The value of tissue quantitative diffusion analysis of ultrasound elastography in the diagnosis of early-stage chronic kidney disease.
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- BMC Nephrology, 2024, v. 25, n. 1, p. 1, doi. 10.1186/s12882-024-03762-0
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- Article
Direct dynamic study on the hydrogen abstraction reaction of H<sub>2</sub>CO with NCO.
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- International Journal of Chemical Kinetics, 2009, v. 41, n. 6, p. 394, doi. 10.1002/kin.20417
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Theoretical study on the ion-molecule reaction of NH<sup>+</sup> with CH<sub>2</sub>O.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 6, p. 1654, doi. 10.1002/qua.23044
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- Article
Direct ab initio dynamics study of the reaction of C<sub>2</sub>(A<sup>3</sup>Π<sub> u</sub>) with CH<sub>4</sub>.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 4, p. 1078, doi. 10.1002/qua.23076
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- Article
Structure and Stability of Interstellar Molecule C<sub>3</sub>S.
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- Chinese Journal of Chemistry, 2002, v. 20, n. 12, p. 1487, doi. 10.1002/cjoc.20020201206
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Structures and Stability of HNS<sub>2</sub> Isomers.
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- Chinese Journal of Chemistry, 2002, v. 20, n. 8, p. 760, doi. 10.1002/cjoc.20020200810
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SiCNN-A New Stable Isomer with Si≡C Triple Bonding.
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- Chemistry - A European Journal, 2001, v. 7, n. 7, p. 1539, doi. 10.1002/1521-3765(20010401)7:7<1539::AID-CHEM1539>3.0.CO;2-4
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Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeD<sub> n</sub>(CH<sub>3</sub>)<sub>4− n</sub> ( n = 1-4).
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- Journal of Computational Chemistry, 2002, v. 23, n. 14, p. 1366, doi. 10.1002/jcc.10137
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Theoretical study on reaction mechanism of the CF radical with nitrogen dioxide.
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- Journal of Computational Chemistry, 2001, v. 22, n. 16, p. 1907, doi. 10.1002/jcc.1141
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Numerical simulation of the electromagnetic field in layered media applicable to high-frequency scenarios.
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- Applied Geophysics: Bulletin of Chinese Geophysical Society, 2023, v. 20, n. 2, p. 135, doi. 10.1007/s11770-023-1055-6
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Marchenko imaging based on self-adaptive traveltime updating.
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- Applied Geophysics: Bulletin of Chinese Geophysical Society, 2020, v. 17, n. 1, p. 81, doi. 10.1007/s11770-019-0796-8
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Exceptionally Large Second-Order Nonlinear Optical Response in Donor-Graphene Nanoribbon-Acceptor Systems.
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- Chemistry - A European Journal, 2011, v. 17, n. 8, p. 2414, doi. 10.1002/chem.201001727
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Bonding and correlation analysis of various Si<sub>2</sub>CO isomers on the potential energy surface.
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 5, p. 907, doi. 10.1002/qua.21871
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A barrier-free atomic radical-molecule reaction: N (<sup>2</sup>D) NO<sub>2</sub> (<sup>2</sup>A<sub>1</sub>) mechanistic study.
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- International Journal of Quantum Chemistry, 2008, v. 108, n. 8, p. 1309, doi. 10.1002/qua.21621
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Theoretical study of the Si<sub>2</sub>NO potential energy surface.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 5, p. 1181, doi. 10.1002/qua.21232
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Alkali metal atom-aromatic ring: A novel interaction mode realizes large first hyperpolarizabilities of M@AR (M = Li, Na, and K, AR = pyrrole, indole, thiophene, and benzene).
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- Journal of Computational Chemistry, 2011, v. 32, n. 9, p. 2005, doi. 10.1002/jcc.21789
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Molecular simulations study of novel 1,4-dihydropyridines derivatives with a high selectivity for Cav3.1 calcium channel.
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- Protein Science: A Publication of the Protein Society, 2015, v. 24, n. 11, p. 1737, doi. 10.1002/pro.2763
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