Search Results - "Beste, Ariana" :: K.UTB vyhledávací portál | TBU Library Retrieval Portal

Density Functional Theory Study of the Concerted Pyrolysis Mechanism for Lignin Models

Density Functional Theory Study of the Concerted Pyrolysis Mechanism for Lignin Models

by Elder, Thomas, Beste, Ariana
Published in Energy & fuels (21.08.2014)

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Journal Article

Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst

Direct Neutron Spectroscopy Observation of Cerium Hydride Species on a Cerium Oxide Catalyst

by Wu, Zili, Cheng, Yongqiang, Tao, Franklin, Daemen, Luke, Foo, Guo Shiou, Nguyen, Luan, Zhang, Xiaoyan, Beste, Ariana, Ramirez-Cuesta, Anibal J
Published in Journal of the American Chemical Society (19.07.2017)

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Pathways for Ethanol Dehydrogenation and Dehydration Catalyzed by Ceria (111) and (100) Surfaces

Pathways for Ethanol Dehydrogenation and Dehydration Catalyzed by Ceria (111) and (100) Surfaces

by Beste, Ariana, Overbury, Steven H
Published in Journal of physical chemistry. C (05.02.2015)

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Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers

Computational Study of Bond Dissociation Enthalpies for Lignin Model Compounds. Substituent Effects in Phenethyl Phenyl Ethers

by Beste, Ariana, Buchanan, A. C
Published in Journal of organic chemistry (03.04.2009)

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Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfaces

by Beste, Ariana, Overbury, Steven H
Published in Physical chemistry chemical physics : PCCP (21.04.2016)

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Journal Article

Substituent Effects on the Reaction Rates of Hydrogen Abstraction in the Pyrolysis of Phenethyl Phenyl Ethers

Substituent Effects on the Reaction Rates of Hydrogen Abstraction in the Pyrolysis of Phenethyl Phenyl Ethers

by Beste, Ariana, Buchanan, A. C
Published in Energy & fuels (20.05.2010)

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Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface

Fast MAS 1H NMR Study of Water Adsorption and Dissociation on the (100) Surface of Ceria Nanocubes: A Fully Hydroxylated, Hydrophobic Ceria Surface

by Gill, Lance, Beste, Ariana, Chen, Banghao, Li, Meijun, Mann, Amanda K. P, Overbury, Steven H, Hagaman, Edward W
Published in Journal of physical chemistry. C (22.03.2017)

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Adsorption and dissociation of methanol on the fully oxidized and partially reduced (1 1 1) cerium oxide surface: Dependence on the configuration of the cerium 4f electrons

Adsorption and dissociation of methanol on the fully oxidized and partially reduced (1 1 1) cerium oxide surface: Dependence on the configuration of the cerium 4f electrons

by Beste, Ariana, Mullins, David R., Overbury, Steven H., Harrison, Robert J.
Published in Surface science (2008)

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Molecular Inclusion of Small Aging Products into the Hexanitrohexaazaisowurtzitane (CL‐20) Lattice: Part II, Polymorph Dependence

Molecular Inclusion of Small Aging Products into the Hexanitrohexaazaisowurtzitane (CL‐20) Lattice: Part II, Polymorph Dependence

by Beste, Ariana
Published in Propellants, explosives, pyrotechnics (01.05.2022)

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Methanol adsorption and dissociation on LaMnO3 and Sr doped LaMnO3 (001) surfaces

Methanol adsorption and dissociation on LaMnO3 and Sr doped LaMnO3 (001) surfaces

by Beste, Ariana
Published in Surface science (01.10.2017)

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ReaxFF Study of the Oxidation of Lignin Model Compounds for the Most Common Linkages in Softwood in View of Carbon Fiber Production

ReaxFF Study of the Oxidation of Lignin Model Compounds for the Most Common Linkages in Softwood in View of Carbon Fiber Production

by Beste, Ariana
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.02.2014)

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Journal Article

Molecular Inclusion of Small Aging Products into the Hexanitrohexaazaisowurtzitane (CL‐20) Lattice: Part I, Infrared Spectra

Molecular Inclusion of Small Aging Products into the Hexanitrohexaazaisowurtzitane (CL‐20) Lattice: Part I, Infrared Spectra

by Beste, Ariana, Alam, Mary Kathleen
Published in Propellants, explosives, pyrotechnics (01.05.2022)

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Journal Article

One-dimensional anharmonic oscillator: Quantum versus classical vibrational partition functions

One-dimensional anharmonic oscillator: Quantum versus classical vibrational partition functions

by Beste, Ariana
Published in Chemical physics letters (17.06.2010)

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Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfacesThis manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or al

Dehydrogenation of methanol to formaldehyde catalyzed by pristine and defective ceria surfacesThis manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or al

by Beste, Ariana, Overbury, Steven H
Year of Publication 13.04.2016

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Utilization of the Critic Subnetwork of a Generative Adversarial Network as Detector of Morphological Material Change in Image Data

Utilization of the Critic Subnetwork of a Generative Adversarial Network as Detector of Morphological Material Change in Image Data

by Beste, Ariana, Bolintineanu, Dan Stefan, Bufford, Daniel Charles
Published in Propellants, explosives, pyrotechnics (12.12.2022)

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Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111)

Below-Room-Temperature C–H Bond Breaking on an Inexpensive Metal Oxide: Methanol to Formaldehyde on CeO2(111)

by Sutton, Jonathan E, Danielson, Thomas, Beste, Ariana, Savara, Aditya
Published in The journal of physical chemistry letters (07.12.2017)

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Methyl Formate Formation during Methanol Conversion over the (111) Ceria Surface

Methyl Formate Formation during Methanol Conversion over the (111) Ceria Surface

by Beste, Ariana, Overbury, Steven H
Published in Journal of physical chemistry. C (11.05.2017)

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Utilization of the Critic Subnetwork of a Generative Adversarial Network as Detector of Morphological Material Change in Image Data

Utilization of the Critic Subnetwork of a Generative Adversarial Network as Detector of Morphological Material Change in Image Data

by Beste, Ariana, Bolintineanu, Dan S., Bufford, Daniel C.
Published in Propellants, explosives, pyrotechnics (01.03.2023)

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Charge decomposition analysis of the chemisorption bond

Charge decomposition analysis of the chemisorption bond

by Garcı́a Hernández, Maite, Beste, Ariana, Frenking, Gernot, Illas, Francesc
Published in Chemical physics letters (07.04.2000)

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Computational study of bond dissociation enthalpies for lignin model compounds: β-5 Arylcoumaran

Computational study of bond dissociation enthalpies for lignin model compounds: β-5 Arylcoumaran

by Younker, Jarod M., Beste, Ariana, Buchanan, A.C.
Published in Chemical physics letters (30.08.2012)

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