Works matching Thermochemistry
Results: 3123
Termoquímica computacional: en la búsqueda de la precisión química.
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- Revista Colombiana de Ciencias Químico-Farmacéuticas, 2022, v. 51, n. 2, p. 811, doi. 10.15446/rcciquifa.v51n2.105373
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Um estudo sobre a apropriação de conceitos de termoquímica na perspectiva Ciência Tecnologia Sociedade e Ambiente.
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- Revista Electrónica de Enseñanza de las Ciencias, 2021, v. 20, n. 1, p. 99
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Applications of isodesmic‐type reactions for computational thermochemistry.
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- WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1501
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Quantum Mechanical Investigations into Thermochemistry Properties and Electronic, Structural of Nanocrystals.
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- Al-Mustansiriyah Journal of Science, 2018, v. 29, n. 3, p. 133, doi. 10.23851/mjs.v29i3.632
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Evaluación de una secuencia de enseñanza de termoquímica para la formación de profesores.
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- Didáctica de las Ciencias Experimentales y Sociales, 2020, n. 38, p. 133, doi. 10.7203/DCES.38.15577
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Cover Feature: Thermochemistry of Surfactant‐Templating of USY Zeolite (Chem. Eur. J. 43/2019).
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- Chemistry - A European Journal, 2019, v. 25, n. 43, p. 10022, doi. 10.1002/chem.201902535
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Applying the Rule Space Model to Develop a Learning Progression for Thermochemistry.
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- Research in Science Education, 2017, v. 47, n. 6, p. 1357, doi. 10.1007/s11165-016-9553-7
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Content Analysis of Chemistry Textbooks in the Chapter on Thermochemistry.
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- KnE Social Sciences, 2024, p. 225, doi. 10.18502/kss.v9i8.15552
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Accurate computational thermochemistry from explicitly correlated coupled-cluster theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 5/6, p. 289, doi. 10.1007/s00214-010-0733-7
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Assessing the Applicability of the Geometric Counterpoise Correction in B2PLYP/Double-ζ Calculations for Thermochemistry, Kinetics, and Noncovalent Interactions.
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- Australian Journal of Chemistry, 2021, v. 74, n. 11, p. 795, doi. 10.1071/CH21133
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Teaching combustion thermochemistry with an interactive Matlab application.
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- Computer Applications in Engineering Education, 2019, v. 27, n. 3, p. 642, doi. 10.1002/cae.22104
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Thermochemistry and kinetic analysis for the conversion of furfural to valuable added products.
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- Journal of Molecular Modeling, 2019, v. 25, n. 1, p. 1, doi. 10.1007/s00894-018-3908-0
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An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn)
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- Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5439, doi. 10.1007/s00894-013-2038-y
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Thermochemistry of vitrified waste incineration ashes crystallization.
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- Journal of Thermal Analysis & Calorimetry, 2009, v. 97, n. 1, p. 197, doi. 10.1007/s10973-008-9654-2
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Thermochemistry of europium and dithiocarbamate complex Eu(C<sub>5</sub>H<sub>8</sub>NS<sub>2</sub>)<sub>3</sub>(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>).
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- Journal of Thermal Analysis & Calorimetry, 2006, v. 86, n. 3, p. 767, doi. 10.1007/s10973-005-6626-7
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Thermal analysis and thermochemistry of vitreous into crystalline state transition.
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- Journal of Thermal Analysis & Calorimetry, 2004, v. 77, n. 1, p. 7, doi. 10.1023/B:JTAN.0000033182.90571.ce
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A history of thermochemistry through the tribulations of its devotees.
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- Journal of Thermal Analysis & Calorimetry, 2003, v. 72, n. 1, p. 7, doi. 10.1023/A:1023938829354
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Nano-Strand Formation via Gas Phase Reactions from Al-Co-Fe Reacted with CaF 2 -SiO 2 -Al 2 O 3 -MgO Flux at 1350 °C: SEM Study and Thermochemistry Calculations.
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- Processes, 2024, v. 12, n. 7, p. 1342, doi. 10.3390/pr12071342
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Thermochemistry and Bond Nature of Oxo and Thio Ligands in Rhenium(V) Catalysts and Rhenium(VII) Intermediates: Density Functional Calculations.
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- European Journal of Inorganic Chemistry, 2018, v. 2018, n. 24, p. 2874, doi. 10.1002/ejic.201800049
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Alkaloids and Selected Topics in Their Thermochemistry.
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- Molecules, 2021, v. 26, n. 21, p. 6715, doi. 10.3390/molecules26216715
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Thermochemistry of Surfactant‐Templating of USY Zeolite.
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- Chemistry - A European Journal, 2019, v. 25, n. 43, p. 10045, doi. 10.1002/chem.201901507
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Molecular structures and thermochemistry of the derivatives of C<sub>24</sub> fullerene by attaching a variety of chemical groups.
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- Journal of Structural Chemistry, 2009, v. 50, n. 6, p. 1046, doi. 10.1007/s10947-009-0154-4
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Thermochemistry of icosahedral closo-dicarboranes: a composite ab initio quantum-chemical perspective.
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- Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1082, doi. 10.1139/cjc-2016-0272
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Carbonate radical anion — Thermochemistry.
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- Canadian Journal of Chemistry, 2006, v. 84, n. 12, p. 1614, doi. 10.1139/V06-168
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Thermochemistry of organic molecules: The way to understand energy--structure relationships.
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- Pure & Applied Chemistry, 2009, v. 81, n. 10, p. 1857, doi. 10.1351/PAC-CON-08-10-01
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Natural dihydroisobenzofuran derivatives as a template for promising radical scavengers: theoretical insights into structure–activity relationships, thermochemistry and kinetics.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 11, p. 1, doi. 10.1007/s00214-022-02922-5
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Lithium–silicon Si<sub> n </sub>Li ( n = 2–10) clusters and their anions: structures, thermochemistry, and electron affinities.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 1/2, p. 83, doi. 10.1007/s00214-008-0452-5
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Ab initio characterization of XH<sub>3</sub> (X=N, P). I. Ammonia, phosphine and their related ions and radicals: structure and thermochemistry.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 4-6, p. 325, doi. 10.1007/s00214-008-0436-5
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Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol.
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- Journal of Mass Spectrometry, 2015, v. 50, n. 3, p. 454, doi. 10.1002/jms.3549
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Fructose-derived hydrochar: combustion thermochemistry and kinetics assessments.
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- Journal of Thermal Analysis & Calorimetry, 2022, v. 147, n. 22, p. 12805, doi. 10.1007/s10973-022-11474-6
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Thermochemistry of Complex Formation of Endofullerene Li<sup>+</sup>@C<sub>60</sub> with the Triflate Ion.
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- Russian Journal of General Chemistry, 2018, v. 88, n. 11, p. 2335, doi. 10.1134/S1070363218110142
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Thermochemistry of Combustion in Polyvinyl Alcohol + Hydroxylammonium Nitrate.
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- Aerospace (MDPI Publishing), 2021, v. 8, n. 5, p. 142, doi. 10.3390/aerospace8050142
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A Comment on Nadytko et al., "Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters". Entropy 2011, 13, 554-569.
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- Entropy, 2011, v. 13, n. 4, p. 915, doi. 10.3390/e13040915
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Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters.
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- Entropy, 2011, v. 13, n. 2, p. 554, doi. 10.3390/e13020554
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Thermochemistry of some adducts of Indium(III) chloride with neutral donors.
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- Journal of Thermal Analysis & Calorimetry, 2009, v. 97, n. 2, p. 755, doi. 10.1007/s10973-009-0335-6
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Thermochemistry of C<sub>60</sub> and C<sub>70</sub> fullerene solvates.
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- Journal of Thermal Analysis & Calorimetry, 2006, v. 84, n. 1, p. 259, doi. 10.1007/s10973-005-7172-z
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Thermochemistry of a Cobalt Complex with Ionisable Pyrazole Protons.
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- European Journal of Inorganic Chemistry, 2018, v. 2018, n. 20/21, p. 2339, doi. 10.1002/ejic.201800347
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Thermochemistry of Sulfur-Based Vulcanization and of Devulcanized and Recycled Natural Rubber Compounds.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2623, doi. 10.3390/ijms24032623
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Thermochemistry and Chemical Vapor Transport of In<sub>2</sub> M<sub>3</sub>O<sub>12</sub> ( M = Mo, W).
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- Zeitschrift für Anorganische und Allgemeine Chemie, 2014, v. 640, n. 12/13, p. 2583, doi. 10.1002/zaac.201400354
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The structures, thermochemistry, and electron affinities of hydrogenated silicon clusters Si<sub>6</sub>H<sub>n</sub>/Si<sub>6</sub>H<STACK><sub>n</sub><sup>-</sup></STACK> (n = 3–14).
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- International Journal of Quantum Chemistry, 2009, v. 109, n. 6, p. 1283, doi. 10.1002/qua.21692
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Defining the Heats of Reactions Using the Concept of 'Extent of Reaction': Connecting Thermochemistry Taught in General Chemistry with Advanced Physical Chemistry.
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- Resonance: Journal of Science Education, 2022, v. 27, n. 5, p. 753, doi. 10.1007/s12045-022-1370-x
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An ONIOM-Based High-Level Thermochemistry Study on Hydrogen Abstraction Reactions of Large Straight-Chain Alkanes by Hydrogen, Hydroxyl, and Hydroperoxyl Radicals.
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- Symmetry (20738994), 2024, v. 16, n. 3, p. 367, doi. 10.3390/sym16030367
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Thermochemistry of 35 selected sulfur compounds, a comparison between experiment and theory.
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- Journal of Sulfur Chemistry, 2008, v. 29, n. 3/4, p. 327, doi. 10.1080/17415990802047352
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 215, doi. 10.1007/s00214-007-0310-x
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The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the 'Right Answer for the Right Reason'.
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- ChemistryOpen, 2014, v. 3, n. 5, p. 177, doi. 10.1002/open.201402017
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W4 thermochemistry of P2 and P4. Is the CODATA heat of formation of the phosphorus atom correct?
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- Molecular Physics, 2007, v. 105, n. 19-22, p. 2499, doi. 10.1080/00268970701543572
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Berthelot's Pathway from Synthesis to Thermochemistry.
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- AMBIX, 2019, v. 66, n. 1, p. 51, doi. 10.1080/00026980.2018.1537326
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Challenges and opportunities for engineering thermochemistry in carbon-neutralization technologies.
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- National Science Review, 2023, v. 10, n. 9, p. 1, doi. 10.1093/nsr/nwac217
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Thermochemistry for enthalpies and reaction paths of nitrous acid isomers.
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- International Journal of Chemical Kinetics, 2007, v. 39, n. 7, p. 378, doi. 10.1002/kin.20247
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Can the Study of Thermochemistry Facilitate Students’ Differentiation between Heat Energy and Temperature?
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- Journal of Science Education & Technology, 2006, v. 15, n. 3/4, p. 269, doi. 10.1007/s10956-006-9013-7
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