Found: 14
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Preparation of poly(1,4-phenylene)s by electro-oxidative polymerization.
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- Polymers for Advanced Technologies, 1995, v. 6, n. 4, p. 254, doi. 10.1002/pat.1995.220060406
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- Article
Theoretical study on the absorption spectra of fac-Ir(ppy)<sub>3</sub> in the amorphous phase of organic electro-luminescent devices.
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- Research on Chemical Intermediates, 2009, v. 35, n. 8/9, p. 851, doi. 10.1007/s11164-009-0079-8
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- Article
Machine Learning‐Inspired Molecular Design, Divergent Syntheses, and X‐Ray Analyses of Dithienobenzothiazole‐Based Semiconductors Controlled by S⋅⋅⋅N and S⋅⋅⋅S Interactions.
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- Chemistry - A European Journal, 2024, v. 30, n. 54, p. 1, doi. 10.1002/chem.202401080
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- Article
Reaction path optimization and vibrational frequency analysis via ab initio QM/MM free energy gradient (FEG) method: application to isomerization process of glycine in aqueous solution.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 2/3, p. 215, doi. 10.1007/s00214-011-0962-4
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- Article
QM/MM investigation of the degradation mechanism of the electron-transporting layer.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 130, n. 2/3, p. 439, doi. 10.1007/s00214-011-1020-y
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- Article
Theoretical study of environmental effects on proton transfer reaction through the peptide bond in a model system.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 263, doi. 10.1007/s00214-007-0301-y
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- Article
Tetra-hydrides of the third-row transition elements: spin–orbit coupling effects on geometrical deformation in WH<sub>4</sub> and OsH<sub>4</sub>.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 85, doi. 10.1007/s00214-007-0302-x
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- Article
Exploring the Reaction Paths on the Potential Energy Surfaces of the S<sub>1</sub> and T<sub>1</sub> States in Methylenecyclopropane.
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- Photochemistry & Photobiology, 2021, v. 97, n. 1, p. 126, doi. 10.1111/php.13326
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- Article
Nudged elastic stiffness band method: A method to solve kinks problems of reaction paths.
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- Journal of Computational Chemistry, 2023, v. 44, n. 23, p. 1884, doi. 10.1002/jcc.27169
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- Article
Curvature‐weighted nudged elastic band method using the Riemann curvature.
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- Journal of Computational Chemistry, 2023, v. 44, n. 5, p. 662, doi. 10.1002/jcc.27030
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- Article
Electro-oxidative polymerization of 1,3-Cyclohexadiene.
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- Polymers for Advanced Technologies, 1990, v. 1, n. 3/4, p. 207, doi. 10.1002/pat.1990.220010303
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- Article
Synthesis of a Double Helicene by a Palladium-Catalyzed Cross-Coupling Reaction: Structure and Physical Properties.
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- Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6523, doi. 10.1002/chem.201500074
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- Article
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulations.
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- Journal of Computational Chemistry, 2011, v. 32, n. 14, p. 3092, doi. 10.1002/jcc.21893
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- Article
A minimal implementation of the AMBER-GAUSSIAN interface for ab initio QM/MM-MD simulation.
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- Journal of Computational Chemistry, 2011, v. 32, n. 5, p. 932, doi. 10.1002/jcc.21678
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- Article