Works matching Thermochemistry

Results: 3173

Evaluación de una secuencia de enseñanza de termoquímica para la formación de profesores.

Published in:

Didáctica de las Ciencias Experimentales y Sociales, 2020, n. 38, p. 133, doi. 10.7203/DCES.38.15577

By:

Furió Mas, Carles;
Furió Gómez, Cristina;
Guisasola Aranzabal, Jenaro

Publication type:

Article

Content Analysis of Chemistry Textbooks in the Chapter on Thermochemistry.

Published in:

KnE Social Sciences, 2024, p. 225, doi. 10.18502/kss.v9i8.15552

By:

Marfuatun;
Yuliani, Galuh;
Nahadi

Publication type:

Article

Um estudo sobre a apropriação de conceitos de termoquímica na perspectiva Ciência Tecnologia Sociedade e Ambiente.

Published in:

Revista Electrónica de Enseñanza de las Ciencias, 2021, v. 20, n. 1, p. 99

By:

da Silva Moretti, Andressa Algayer;
Dante Correia Rocha, Zenai de Fatima

Publication type:

Article

Applications of isodesmic‐type reactions for computational thermochemistry.

Published in:

WIREs: Computational Molecular Science, 2021, v. 11, n. 3, p. 1, doi. 10.1002/wcms.1501

By:

Chan, Bun;
Collins, Eric;
Raghavachari, Krishnan

Publication type:

Article

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

By:

Chen, Fu;
Zhang, Shanshan;
Guo, Yanfang;
Xin, Tao

Publication type:

Article

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

By:

Buendía-Atencio, Cristian;
Gómez Heredia, Aura Ximena;
Parra Correa, Darcy;
Lorett Velásquez, Vaneza Paola

Publication type:

Article

Cover Feature: Thermochemistry of Surfactant‐Templating of USY Zeolite (Chem. Eur. J. 43/2019).

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 43, p. 10022, doi. 10.1002/chem.201902535

By:

Linares, Noemi;
De Oliveira Jardim, Erika;
Sharma, Geetu;
Serrano, Elena;
Navrotsky, Alexandra;
García‐Martínez, Javier

Publication type:

Article

Quantum Mechanical Investigations into Thermochemistry Properties and Electronic, Structural of Nanocrystals.

Published in:

Al-Mustansiriyah Journal of Science, 2018, v. 29, n. 3, p. 133, doi. 10.23851/mjs.v29i3.632

By:

Jawad, Huda M.

Publication type:

Article

Thermochemistry and kinetic analysis for the conversion of furfural to valuable added products.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 1, p. 1, doi. 10.1007/s00894-018-3908-0

By:

Pino, Natalia;
López, Diana;
Espinal, Juan F.

Publication type:

Article

Thermochemistry of vitrified waste incineration ashes crystallization.

Published in:

Journal of Thermal Analysis & Calorimetry, 2009, v. 97, n. 1, p. 197, doi. 10.1007/s10973-008-9654-2

By:

Stoch, L.;
Procyk, B.;
Stoch, P.

Publication type:

Article

Thermochemistry of europium and dithiocarbamate complex Eu(C5H8NS2)3(C12H8N2).

Published in:

Journal of Thermal Analysis & Calorimetry, 2006, v. 86, n. 3, p. 767, doi. 10.1007/s10973-005-6626-7

By:

Chen, S.;
Meng, X.;
Shuai, Q.;
Jiao, B.;
Gao, S.;
Shi, Q.

Publication type:

Article

Alkaloids and Selected Topics in Their Thermochemistry.

Published in:

Molecules, 2021, v. 26, n. 21, p. 6715, doi. 10.3390/molecules26216715

By:

Ponikvar-Svet, Maja;
Zeiger, Diana N.;
Liebman, Joel F.

Publication type:

Article

Thermal analysis and thermochemistry of vitreous into crystalline state transition.

Published in:

Journal of Thermal Analysis & Calorimetry, 2004, v. 77, n. 1, p. 7, doi. 10.1023/B:JTAN.0000033182.90571.ce

By:

Stoch, L.

Publication type:

Article

A history of thermochemistry through the tribulations of its devotees.

Published in:

Journal of Thermal Analysis & Calorimetry, 2003, v. 72, n. 1, p. 7, doi. 10.1023/A:1023938829354

By:

Cardillo, P.

Publication type:

Article

Thermochemistry and Bond Nature of Oxo and Thio Ligands in Rhenium(V) Catalysts and Rhenium(VII) Intermediates: Density Functional Calculations.

Published in:

European Journal of Inorganic Chemistry, 2018, v. 2018, n. 24, p. 2874, doi. 10.1002/ejic.201800049

By:

Ibdah, Abdellatif;
Alduwikat, Salwa

Publication type:

Article

Accurate computational thermochemistry from explicitly correlated coupled-cluster theory.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 5/6, p. 289, doi. 10.1007/s00214-010-0733-7

By:

Klopper, Wim;
Bachorz, Rafał A.;
Hättig, Christof;
Tew, David P.

Publication type:

Article

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.

Published in:

Processes, 2024, v. 12, n. 7, p. 1342, doi. 10.3390/pr12071342

By:

Coetsee, Theresa;
De Bruin, Frederik

Publication type:

Article

Thermochemistry of Surfactant‐Templating of USY Zeolite.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 43, p. 10045, doi. 10.1002/chem.201901507

By:

Linares, Noemi;
De Oliveira Jardim, Erika;
Sharma, Geetu;
Serrano, Elena;
Navrotsky, Alexandra;
García‐Martínez, Javier

Publication type:

Article

Assessing the Applicability of the Geometric Counterpoise Correction in B2PLYP/Double-ζ Calculations for Thermochemistry, Kinetics, and Noncovalent Interactions.

Published in:

Australian Journal of Chemistry, 2021, v. 74, n. 11, p. 795, doi. 10.1071/CH21133

By:

Mehta, Nisha;
Goerigk, Lars

Publication type:

Article

Teaching combustion thermochemistry with an interactive Matlab application.

Published in:

Computer Applications in Engineering Education, 2019, v. 27, n. 3, p. 642, doi. 10.1002/cae.22104

By:

García‐Oliver, José María;
García, Antonio;
Morena, Joaquín;
Monsalve‐Serrano, Javier

Publication type:

Article

An assessment of DFT methods for predicting the thermochemistry of ion-molecule reactions of group 14 elements (Si, Ge, Sn)

Published in:

Journal of Molecular Modeling, 2013, v. 19, n. 12, p. 5439, doi. 10.1007/s00894-013-2038-y

By:

Ignatyev, Igor S.;
Montejo, Manuel;
López González, Juan Jesús

Publication type:

Article

Natural dihydroisobenzofuran derivatives as a template for promising radical scavengers: theoretical insights into structure–activity relationships, thermochemistry and kinetics.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2022, v. 141, n. 11, p. 1, doi. 10.1007/s00214-022-02922-5

By:

Spiegel, Maciej;
Sroka, Zbigniew

Publication type:

Article

Computational Study of Structure and Thermochemistry of Some Endo- and Exohedral Fullerene Derivatives.

Published in:

Fullerenes, Nanotubes & Carbon Nanostructures, 2004, v. 12, n. 1/2, p. 169, doi. 10.1081/FST-120027152

By:

Ioffe, I.N.;
Goryunkov, A.A.;
Boltalina, O.V.;
Borschevsky, A.Y.;
Sidorov, L.N.

Publication type:

Article

Fructose-derived hydrochar: combustion thermochemistry and kinetics assessments.

Published in:

Journal of Thermal Analysis & Calorimetry, 2022, v. 147, n. 22, p. 12805, doi. 10.1007/s10973-022-11474-6

By:

Musuc, Adina Magdalena;
Patrinoiu, Greta;
Budrugeac, Petru;
Cucos, Andrei;
Dascalu, Radu;
Calderon-Moreno, Jose;
Carp, Oana

Publication type:

Article

Thermochemistry of some adducts of Indium(III) chloride with neutral donors.

Published in:

Journal of Thermal Analysis & Calorimetry, 2009, v. 97, n. 2, p. 755, doi. 10.1007/s10973-009-0335-6

By:

Dunstan, P. O

Publication type:

Article

Thermochemistry of C60 and C70 fullerene solvates.

Published in:

Journal of Thermal Analysis & Calorimetry, 2006, v. 84, n. 1, p. 259, doi. 10.1007/s10973-005-7172-z

By:

Avramenko, Natalia V.;
Korobov, M. V.;
Parfenova, Aksana M.;
Dorozhko, P. A.;
Kiseleva, Natalia A.;
Dolgov, P. V.

Publication type:

Article

Thermochemistry and Chemical Vapor Transport of In2 M3O12 ( M = Mo, W).

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2014, v. 640, n. 12/13, p. 2583, doi. 10.1002/zaac.201400354

By:

Steiner, Udo;
Schmidt, Marcus;
Schnelle, Walter

Publication type:

Article

Molecular structures and thermochemistry of the derivatives of C24 fullerene by attaching a variety of chemical groups.

Published in:

Journal of Structural Chemistry, 2009, v. 50, n. 6, p. 1046, doi. 10.1007/s10947-009-0154-4

By:

Peng, S.;
Li, X. J.;
Zhang, Y.;
Zhao, S.

Publication type:

Article

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.

Published in:

Entropy, 2011, v. 13, n. 4, p. 915, doi. 10.3390/e13040915

By:

Kurtén, Theo

Publication type:

Article

Amines in the Earth's Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters.

Published in:

Entropy, 2011, v. 13, n. 2, p. 554, doi. 10.3390/e13020554

By:

Nadykto, Alexey B.;
Fangqun Yu;
Jakovleva, Marina V.;
Herb, Jason;
Yisheng Xu

Publication type:

Article

Thermochemistry of Complex Formation of Endofullerene Li+@C60 with the Triflate Ion.

Published in:

Russian Journal of General Chemistry, 2018, v. 88, n. 11, p. 2335, doi. 10.1134/S1070363218110142

By:

Mikhailov, G. P.

Publication type:

Article

Thermochemistry of icosahedral closo-dicarboranes: a composite ab initio quantum-chemical perspective.

Published in:

Canadian Journal of Chemistry, 2016, v. 94, n. 12, p. 1082, doi. 10.1139/cjc-2016-0272

By:

Sarrami, Farzaneh;
Yu, Li-Juan;
Karton, Amir

Publication type:

Article

Carbonate radical anion — Thermochemistry.

Published in:

Canadian Journal of Chemistry, 2006, v. 84, n. 12, p. 1614, doi. 10.1139/V06-168

By:

Armstrong, D. A.;
Waltz, W. L.;
Rauk, A.

Publication type:

Article

Thermochemistry of a Cobalt Complex with Ionisable Pyrazole Protons.

Published in:

European Journal of Inorganic Chemistry, 2018, v. 2018, n. 20/21, p. 2339, doi. 10.1002/ejic.201800347

By:

Wilken, Mona;
Würtele, Christian;
Kügler, Merle;
Chrobak, Frank;
Siewert, Inke

Publication type:

Article

Lithium–silicon Si n Li ( n = 2–10) clusters and their anions: structures, thermochemistry, and electron affinities.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 121, n. 1/2, p. 83, doi. 10.1007/s00214-008-0452-5

By:

Ju-Cai Yang;
Lihua Lin;
Yousuo Zhang;
Jalbout, Abraham F.

Publication type:

Article

Ab initio characterization of XH3 (X=N, P). I. Ammonia, phosphine and their related ions and radicals: structure and thermochemistry.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 4-6, p. 325, doi. 10.1007/s00214-008-0436-5

By:

Puzzarini, Cristina

Publication type:

Article

Thermochemistry of Combustion in Polyvinyl Alcohol + Hydroxylammonium Nitrate.

Published in:

Aerospace (MDPI Publishing), 2021, v. 8, n. 5, p. 142, doi. 10.3390/aerospace8050142

By:

Baird, James K.;
Frederick Jr., Robert A.;
Ficarella, Antonio

Publication type:

Article

Analysis of the cyanolichen Lichina pygmaea metabolites using in situ DART-MS: from detection to thermochemistry of mycosporine serinol.

Published in:

Journal of Mass Spectrometry, 2015, v. 50, n. 3, p. 454, doi. 10.1002/jms.3549

By:

Le Pogam, Pierre;
Legouin, Béatrice;
Le Lamer, Anne‐Cécile;
Boustie, Joël;
Rondeau, David

Publication type:

Article

Thermochemistry of Sulfur-Based Vulcanization and of Devulcanized and Recycled Natural Rubber Compounds.

Published in:

International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2623, doi. 10.3390/ijms24032623

By:

Cataldo, Franco

Publication type:

Article

Thermochemistry of organic molecules: The way to understand energy--structure relationships.

Published in:

Pure & Applied Chemistry, 2009, v. 81, n. 10, p. 1857, doi. 10.1351/PAC-CON-08-10-01

By:

Roux, María Victoria;
Concepción Foces-Foces;
Notario, Rafael

Publication type:

Article

Defining the Heats of Reactions Using the Concept of 'Extent of Reaction': Connecting Thermochemistry Taught in General Chemistry with Advanced Physical Chemistry.

Published in:

Resonance: Journal of Science Education, 2022, v. 27, n. 5, p. 753, doi. 10.1007/s12045-022-1370-x

By:

Ramabhadran, Raghunath O.

Publication type:

Article

The structures, thermochemistry, and electron affinities of hydrogenated silicon clusters Si6Hn/Si6H<STACK>n-</STACK> (n = 3–14).

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 6, p. 1283, doi. 10.1002/qua.21692

By:

Li, Xiao‐Jun;
Li, Chun‐Ping;
Yang, Ju‐Cai;
Jalbout, Abraham F.

Publication type:

Article

Thermochemistry of 35 selected sulfur compounds, a comparison between experiment and theory.

Published in:

Journal of Sulfur Chemistry, 2008, v. 29, n. 3/4, p. 327, doi. 10.1080/17415990802047352

By:

Denis, PabloA.

Publication type:

Article

W4 thermochemistry of P2 and P4. Is the CODATA heat of formation of the phosphorus atom correct?

Published in:

Molecular Physics, 2007, v. 105, n. 19-22, p. 2499, doi. 10.1080/00268970701543572

By:

Karton, Amir;
Martin, Jan M. L.

Publication type:

Article

Can the Study of Thermochemistry Facilitate Students’ Differentiation between Heat Energy and Temperature?

Published in:

Journal of Science Education & Technology, 2006, v. 15, n. 3/4, p. 269, doi. 10.1007/s10956-006-9013-7

By:

Niaz, Mansoor

Publication type:

Article

The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the 'Right Answer for the Right Reason'.

Published in:

ChemistryOpen, 2014, v. 3, n. 5, p. 177, doi. 10.1002/open.201402017

By:

Hansen, Andreas;
Bannwarth, Christoph;
Grimme, Stefan;
Petrović, Predrag;
Werlé, Christophe;
Djukic, Jean-Pierre

Publication type:

Article

Thermochemistry for enthalpies and reaction paths of nitrous acid isomers.

Published in:

International Journal of Chemical Kinetics, 2007, v. 39, n. 7, p. 378, doi. 10.1002/kin.20247

By:

Asatryan, Rubik;
Bozzelli, Joseph W.;
Simmie, John M.

Publication type:

Article

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

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2008, v. 120, n. 1-3, p. 215, doi. 10.1007/s00214-007-0310-x

By:

Zhao, Yan;
Truhlar, Donald G.

Publication type:

Article

Thermochemistry of the Mantle Transition Zone Beneath the Western Pacific.

Published in:

Geophysical Research Letters, 2024, v. 51, n. 18, p. 1, doi. 10.1029/2024GL110852

By:

Waszek, Lauren;
Anandawansha, Rashni;
Sexton, Justin;
Tauzin, Benoit

Publication type:

Article

Challenges and opportunities for engineering thermochemistry in carbon-neutralization technologies.

Published in:

National Science Review, 2023, v. 10, n. 9, p. 1, doi. 10.1093/nsr/nwac217

By:

Xu, Guangwen;
Bai, Dingrong;
Xu, Chunming;
He, Mingyuan

Publication type:

Article