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Molecular Simulations of Methane Hydrate Nucleation.
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- ChemPhysChem, 2010, v. 11, n. 5, p. 978, doi. 10.1002/cphc.201000024
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- Article
Selective Guest Docking in Metal-Organic Framework Materials.
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- ChemPhysChem, 2010, v. 11, n. 1, p. 55, doi. 10.1002/cphc.200900723
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- Article
Guest-Host Hydrogen Bonding in Structure H Clathrate Hydrates.
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- ChemPhysChem, 2009, v. 10, n. 5, p. 824, doi. 10.1002/cphc.200900024
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Determination of NMR Lineshape Anisotropy of Guest Molecules within Inclusion Complexes from Molecular Dynamics Simulations.
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- ChemPhysChem, 2008, v. 9, n. 6, p. 911, doi. 10.1002/cphc.200700805
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- Article
Phase Transition of a Structure II Cubic Clathrate Hydrate to a Tetragonal Form.
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- Angewandte Chemie International Edition, 2016, v. 55, n. 32, p. 9287, doi. 10.1002/anie.201602733
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- Article
Effect of nitrogen atom substitution in cyclic guests on properties of structure H clathrate hydrates.
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- Canadian Journal of Chemistry, 2015, v. 93, n. 8, p. 906, doi. 10.1139/cjc-2014-0553
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- Article
Molecular dynamics simulation of halogen bonding in Cl<sub>2</sub>, BrCl, and mixed Cl<sub>2</sub>/Br<sub>2</sub> clathrate hydrates.
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- Canadian Journal of Chemistry, 2015, v. 93, n. 8, p. 864, doi. 10.1139/cjc-2014-0593
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- Article
Antifreeze proteins as gas hydrate inhibitors.
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- Canadian Journal of Chemistry, 2015, v. 93, n. 8, p. 839, doi. 10.1139/cjc-2014-0538
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- Article
Investigation of the density dependence of the shear relaxation time of dense fluids.
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- Canadian Journal of Chemistry, 2005, v. 83, n. 3, p. 236, doi. 10.1139/v05-047
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- Article
Hydrogen Adsorption and Diffusion in p- tert-Butylcalix[4]arene: An Experimental and Molecular Simulation Study.
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- Chemistry - A European Journal, 2010, v. 16, n. 38, p. 11689, doi. 10.1002/chem.201000589
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- Article
Effect of Guest-Host Hydrogen Bonding on the Structures and Properties of Clathrate Hydrates.
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- Chemistry - A European Journal, 2010, v. 16, n. 3, p. 1017, doi. 10.1002/chem.200902351
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- Article
Simulations of p- tert-Butylcalix[4]arene with Multiple Occupancies of Small Guest Molecules.
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- Chemistry - A European Journal, 2008, v. 14, n. 6, p. 1965, doi. 10.1002/chem.200701339
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- Article
Antifreezes Act as Catalysts for Methane Hydrate Formation from Ice.
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- Angewandte Chemie International Edition, 2014, v. 53, n. 39, p. 10429, doi. 10.1002/anie.201403638
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- Article
Competition and Cooperativity in Carbon Dioxide Sorption by Amine-Functionalized Metal-Organic Frameworks.
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- Angewandte Chemie International Edition, 2012, v. 51, n. 8, p. 1826, doi. 10.1002/anie.201105109
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- Article
Statistical Mechanics: Theory and Molecular Simulation. By Mark E. Tuckerman.
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- Angewandte Chemie International Edition, 2011, v. 50, n. 51, p. 12138, doi. 10.1002/anie.201105752
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Ab Initio Molecular Dynamics. Basic Theory and Advanced Methods. By Dominik Marx and Jürg Hutter.
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- Angewandte Chemie International Edition, 2009, v. 48, n. 50, p. 9404, doi. 10.1002/anie.200904748
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- Article
Molecular Dynamics Simulations of p-tert-Butylcalix[4]arene with Small Guest Molecules.
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- Chemistry - A European Journal, 2006, v. 12, n. 20, p. 5231, doi. 10.1002/chem.200501317
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- Article
Hydrogen-Gas Migration through Clathrate Hydrate Cages.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 47, p. 8933, doi. 10.1002/anie.200790242
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- Article
Hydrogen-Gas Migration through Clathrate Hydrate Cages.
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- Angewandte Chemie International Edition, 2007, v. 46, n. 32, p. 6102, doi. 10.1002/anie.200700250
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- Article
Computational prediction of temperature dependence of C NMR lineshapes of planar molecules in structure I clathrate hydrates.
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- Journal of the Iranian Chemical Society, 2013, v. 10, n. 4, p. 659, doi. 10.1007/s13738-012-0198-9
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- Article
Competition and Cooperativity in Carbon Dioxide Sorption by Amine-Functionalized Metal-Organic Frameworks.
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- Angewandte Chemie, 2012, v. 124, n. 8, p. 1862, doi. 10.1002/ange.201105109
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- Article
Statistical Mechanics: Theory and Molecular Simulation. Von Mark E. Tuckerman.
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- Angewandte Chemie, 2011, v. 123, n. 51, p. 12342, doi. 10.1002/ange.201105752
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- Article
Phase Transition of a Structure II Cubic Clathrate Hydrate to a Tetragonal Form.
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- Angewandte Chemie, 2016, v. 128, n. 32, p. 9433, doi. 10.1002/ange.201602733
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- Article
Antifreezes Act as Catalysts for Methane Hydrate Formation from Ice.
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- Angewandte Chemie, 2014, v. 126, n. 39, p. 10597, doi. 10.1002/ange.201403638
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- Article
Study of the Effect of Tetrabutylammonium Halide Aqueous Solutions on the Gas Storage of Methane and Carbon Dioxide.
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- Energies (19961073), 2023, v. 16, n. 13, p. 5001, doi. 10.3390/en16135001
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Thermodynamic Stability of Structure H Hydrates Based on the Molecular Properties of Large Guest Molecules.
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- Energies (19961073), 2012, v. 5, n. 2, p. 459, doi. 10.3390/en5020459
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Vertical excitation energies for ribose and deoxyribose nucleosides.
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- Journal of Computational Chemistry, 2007, v. 28, n. 11, p. 1776, doi. 10.1002/jcc.20699
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- Article