Works about GIBBS' energy diagram

Results: 291

Phase structure of Einstein-Nonlinear-Maxwell-Yukawa charged AdS black hole in quintessence field.

Published in:

International Journal of Modern Physics A: Particles & Fields; Gravitation; Cosmology; Nuclear Physics, 2025, v. 40, n. 20, p. 1, doi. 10.1142/S0217751X2550068X

By:

Mondal, Debojyoti;
Debnath, Ujjal

Publication type:

Article

Gaussian Process Regression for Mapping Free EnergyLandscape of Mg 2+ -Cl − Ion Pairing in Aqueous Solution: Molecular Insights and Computational Efficiency.

Published in:

Molecules, 2025, v. 30, n. 12, p. 2595, doi. 10.3390/molecules30122595

By:

Pornpatcharapong, Wasut

Publication type:

Article

Energy Additivity Approaches to QSPR Modeling in Estimation of Dynamic Viscosity of Fatty Acid Methyl Ester and Biodiesel.

Published in:

Journal of the American Oil Chemists' Society (JAOCS), 2016, v. 93, n. 10, p. 1407, doi. 10.1007/s11746-016-2874-x

By:

Krisnangkura, Kanit;
Aryusuk, Kornkanok;
Phankosol, Suriya;
Lilitchan, Supathra

Publication type:

Article

Characteristics and mechanisms of Cu(II) sorption from aqueous solution by using bioflocculant MBFR10543.

Published in:

Applied Microbiology & Biotechnology, 2015, v. 99, n. 1, p. 229, doi. 10.1007/s00253-014-6103-y

By:

Guo, Junyuan

Publication type:

Article

Chemical Thermodynamics--A Practical Wonderland.

Published in:

Thermo, 2022, v. 2, n. 1, p. 84, doi. 10.3390/thermo2010007

By:

Battino, Rubin;
Letcher, Trevor M.

Publication type:

Article

Predicting Thermodynamic Behaviors of Non-Protein Amino Acids as a Function of Temperature and pH.

Published in:

Origins of Life & Evolution of the Biosphere, 2016, v. 46, n. 1, p. 3, doi. 10.1007/s11084-015-9457-y

By:

Kitadai, Norio

Publication type:

Article

Solvent Effects in the Regioselective N-Functionalization of Tautomerizable Heterocycles Catalyzed by Methyl Trifluoromethanesulfonate: A Density Functional Theory Study with Implicit Solvent Model.

Published in:

Computation, 2022, v. 10, n. 10, p. 172, doi. 10.3390/computation10100172

By:

Morgon, Nelson H.;
Biswas, Srijit;
Duari, Surajit;
de Souza, Aguinaldo R.

Publication type:

Article

Insights into the Activation Mode of α‐Carbonyl Sulfoxonium Ylides in Rhodium‐Catalyzed C−H Activation: A Theoretical Study.

Published in:

ChemistryOpen, 2022, v. 11, n. 7, p. 1, doi. 10.1002/open.202100254

By:

Zhang, Dianmin;
He, Xiaofang;
Yang, Tao;
Liu, Song

Publication type:

Article

Reactivity of Coinage Metal Hydrides for the Production of H2 Molecules.

Published in:

ChemistryOpen, 2021, v. 10, n. 8, p. 724, doi. 10.1002/open.202100108

By:

Iribarren, Iñigo;
Sánchez‐Sanz, Goar;
Elguero, José;
Alkorta, Ibon;
Trujillo, Cristina

Publication type:

Article

The Energetics of Fermentation in Natural Settings.

Published in:

Geomicrobiology Journal, 2019, v. 36, n. 6, p. 492, doi. 10.1080/01490451.2019.1573278

By:

LaRowe, Douglas E.;
Amend, Jan P.

Publication type:

Article

Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA.

Published in:

Viruses (1999-4915), 2024, v. 16, n. 8, p. 1246, doi. 10.3390/v16081246

By:

Jung-Rodriguez, Emma;
Barbault, Florent;
Bignon, Emmanuelle;
Monari, Antonio

Publication type:

Article

Electronic and optical properties of / quantum dots with tunable aspect-ratio.

Published in:

Modern Physics Letters B, 2014, v. 28, n. 9, p. -1, doi. 10.1142/S0217984914500729

By:

Lu, Pengfei;
Zhong, Xuxia;
Sun, Chao;
Yu, Zhongyuan;
Han, Lihong;
Wang, Shumin

Publication type:

Article

Thermodynamic and structural properties of liquid Al-Au alloys.

Published in:

International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, v. 31, n. 20, p. -1, doi. 10.1142/S021797921750134X

By:

Olajire, B. A.;
Musari, A. A.

Publication type:

Article

Synthesis, Surface and Antimicrobial Activity of Piperidine-Based Sulfobetaines.

Published in:

Journal of Surfactants & Detergents, 2017, v. 20, n. 1, p. 151, doi. 10.1007/s11743-016-1906-8

By:

Wieczorek, Daria;
Dobrowolski, Adam;
Staszak, Katarzyna;
Kwaśniewska, Dobrawa;
Dubyk, Patrycja

Publication type:

Article

A Linear Diffusion Model of Adsorption Kinetics at Fluid/Fluid Interfaces.

Published in:

Journal of Surfactants & Detergents, 2016, v. 19, n. 2, p. 297, doi. 10.1007/s11743-016-1789-8

By:

Staszak, Maciej

Publication type:

Article

Cationic Imidazolium Monomeric Surfactants: Their Synthesis and Surface Active Properties.

Published in:

Journal of Surfactants & Detergents, 2014, v. 17, n. 2, p. 269, doi. 10.1007/s11743-013-1527-4

By:

Ahmad, Ishtiaque;
Patial, Pankaj;
Kaur, Charanjeet;
Kaur, Satindar

Publication type:

Article

Synthesis and Interfacial Activity of Novel Heterogemini Sulfobetaines in Aqueous Solution.

Published in:

Journal of Surfactants & Detergents, 2015, v. 18, n. 3, p. 477, doi. 10.1007/s11743-014-1663-5

By:

Kwaśniewska, Dobrawa;
Staszak, Katarzyna;
Wieczorek, Daria;
Zieliński, Ryszard

Publication type:

Article

Unactivated Pd-catalyzed oxidative cross-coupling reactions of arenes with benzene: a theoretical and experimental study.

Published in:

Canadian Journal of Chemistry, 2024, v. 102, n. 12, p. 899, doi. 10.1139/cjc-2024-0067

By:

Higginson, Niall;
Campbell, Karen;
Quance, Melissa;
Cuninghame, Sean;
Gottardo, Christine;
Mawhinney, Robert C.

Publication type:

Article

Calorimetric Study of Natural Basic Copper Phosphate—Pseudomalachite.

Published in:

Geochemistry International, 2018, v. 56, n. 5, p. 484, doi. 10.1134/S001670291805004X

By:

Ogorodova, L. P.;
Melchakova, L. V.;
Vigasina, M. F.;
Gritsenko, Yu. D.;
Ksenofontov, D. A.

Publication type:

Article

Li-Tosudite: X-Ray Diffraction, IR Spectroscopic, Thermal, and Thermochemical Studies.

Published in:

Geochemistry International, 2018, v. 56, n. 3, p. 234, doi. 10.1134/S0016702918030059

By:

Ogorodova, L. P.;
Vigasina, M. F.;
Vlasov, E. A.;
Mel'chakova, L. V.;
Krupskaya, V. V.;
Spiridonov, E. M.

Publication type:

Article

Estimation of the standard thermodynamic potentials of framework Ca-aluminosilicates by linear programming.

Published in:

Geochemistry International, 2014, v. 52, n. 9, p. 788, doi. 10.1134/S0016702914090031

By:

Eremin, O.

Publication type:

Article

A Modified Neumann-Kopp Treatment of the Heat Capacity of Stoichiometric Phases for Use in Computational Thermodynamics.

Published in:

Journal of Phase Equilibria & Diffusion, 2019, v. 40, n. 1, p. 104, doi. 10.1007/s11669-019-00708-0

By:

Schick, Michael;
Watson, Andy;
to Baben, Moritz;
Hack, Klaus

Publication type:

Article

Solid-State Phase Equilibria of the Cu-S System: Thermodynamic Modeling.

Published in:

Journal of Phase Equilibria & Diffusion, 2018, v. 39, n. 6, p. 810, doi. 10.1007/s11669-018-0670-z

By:

Waldner, Peter

Publication type:

Article

Experimental Investigation and Thermodynamic Calculation of the Phase Equilibria in the Cu-Nb-Zr Ternary System.

Published in:

Journal of Phase Equilibria & Diffusion, 2016, v. 37, n. 5, p. 513, doi. 10.1007/s11669-016-0459-x

By:

Liu, X.;
Liu, Y.;
Guo, Y.;
Wang, D.;
Yang, S.;
Lu, Y.;
Wang, C.

Publication type:

Article

Thermodynamic Properties of Se-Te(l) Described by an Extension of the Two Domain Model.

Published in:

Journal of Phase Equilibria & Diffusion, 2016, v. 37, n. 3, p. 327, doi. 10.1007/s11669-016-0463-1

By:

Brebrick, Robert

Publication type:

Article

Thermodynamic Assessment of the Al-Ba System.

Published in:

Journal of Phase Equilibria & Diffusion, 2016, v. 37, n. 3, p. 345, doi. 10.1007/s11669-016-0466-y

By:

Bao, Xiaoheng;
Liu, Libin;
Jiang, Yurong;
Jiang, Yun;
Mao, Cun;
Li, Xian;
Zhang, Ligang

Publication type:

Article

Thermodynamic Assessment of the Ti-Ir System.

Published in:

Journal of Phase Equilibria & Diffusion, 2014, v. 35, n. 3, p. 269, doi. 10.1007/s11669-014-0302-1

By:

Wang, Cuiping;
Guo, Yihui;
Lu, Yong;
Liu, Xingjun

Publication type:

Article

EDIBLE THERMODYNAMICS.

Published in:

CEE: Chemical Engineering Education, 2021, v. 55, n. 3, p. 134

By:

VIGEANT, MARGOT

Publication type:

Article

Elucidating Heavy‐Atom‐Tunneling Kinetics in the Cope Rearrangement of Semibullvalene.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 60, p. 1, doi. 10.1002/chem.202401000

By:

Angiolari, Federica;
Mandelli, Giacomo;
Huppert, Simon;
Aieta, Chiara;
Spezia, Riccardo

Publication type:

Article

Intramolecular Cyclization and a Retro‐Ene Reaction Enable the Rapid Fragmentation of a Vitamin B1‐Derived Breslow Intermediate.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 52, p. 1, doi. 10.1002/chem.202401106

By:

Grenade, Neil L.;
Howe, Graeme W.

Publication type:

Article

Deciphering the Primary Role of Au⋅⋅⋅H−X Hydrogen Bonding in Gold Catalysis.

Published in:

Angewandte Chemie, 2023, v. 135, n. 41, p. 1, doi. 10.1002/ange.202310314

By:

Sorroche, Alba;
Moreno, Sonia;
Elena Olmos, M.;
Monge, Miguel;
López‐de‐Luzuriaga, José M.

Publication type:

Article

Dynamics of Meso–Chiral Interconversion in a Butterfly‐Shape Overcrowded Alkene Rotor Tunable by Solvent Properties.

Published in:

Angewandte Chemie, 2021, v. 133, n. 30, p. 16602, doi. 10.1002/ange.202102719

By:

Kartha, Kalathil K.;
Takai, Atsuro;
Futera, Zdeněk;
Labuta, Jan;
Takeuchi, Masayuki

Publication type:

Article

Dynamic Features of Transition States for β‐Scission Reactions of Alkenes over Acid Zeolites Revealed by AIMD Simulations.

Published in:

Angewandte Chemie, 2020, v. 132, n. 43, p. 19100, doi. 10.1002/ange.202006065

By:

Rey, Jérôme;
Bignaud, Charles;
Raybaud, Pascal;
Bučko, Tomáš;
Chizallet, Céline

Publication type:

Article

Size- and shape-dependent melting enthalpy and entropy of nanoparticles.

Published in:

Journal of Materials Science, 2017, v. 52, n. 4, p. 1911, doi. 10.1007/s10853-016-0480-9

By:

Fu, Qingshan;
Zhu, Jinhua;
Xue, Yongqiang;
Cui, Zixiang

Publication type:

Article

Effect of Ultrasonic Treatment on the Properties of Pyrophyllite and Thermodynamic and Kinetic Regularities of its Intercalation with Lithium.

Published in:

Materials Science, 2014, v. 50, n. 1, p. 109, doi. 10.1007/s11003-014-9698-3

By:

Balaban, O.;
Hryhorchak, I.;
Kondyr, A.

Publication type:

Article

ADSORPTION PHENOMENA AT THE INTERFACE BETWEEN MERCURY AND SOLUTIONS CONTAINING CHOLINE CHLORIDE, ETHYLENE GLYCOL AND WATER.

Published in:

Issues of Chemistry & Chemical Technology / Voprosy Khimii & Khimicheskoi Tekhnologii, 2021, v. 5, p. 50, doi. 10.32434/0321-4095-2021-138-5-50-58

By:

Danilov, F. I.;
Rublova, Y. D.;
Protsenko, V. S.

Publication type:

Article

Phase boundary and electric field induced polarization rotation in lead-free Ba(Zr0.2Ti0.8)O3-(Ba0.7Ca0.3)TiO3.

Published in:

Phase Transitions, 2020, v. 93, n. 7, p. 666, doi. 10.1080/01411594.2020.1770755

By:

Du, Bingfeng;
Ma, Wenhui

Publication type:

Article

Thermodynamic assessment of Hafnium Iridium binary system.

Published in:

Metallurgical Research & Technology, 2018, v. 115, n. 5, p. N.PAG, doi. 10.1051/metal/2018001

By:

Idbenali, Mohamed;
Servant, Colette;
Feddaoui, M'barek

Publication type:

Article

Silicon-, Nitrogen-Doped Single-Walled Carbon Nanotubes as Oxygen Reduction Reaction Catalysts.

Published in:

Russian Journal of General Chemistry, 2022, v. 92, n. 11, p. 2458, doi. 10.1134/S1070363222110305

By:

Kuzmin, A. V.;
Shainyan, B. A.

Publication type:

Article

Structural and free energy landscape analysis for the discovery of antiviral compounds targeting the cap-binding domain of influenza polymerase PB2.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-69816-3

By:

Abouzied, Amr S.;
Alqarni, Saad;
Younes, Kareem M.;
Alanazi, Sanad M.;
Alrsheed, Dana M.;
Alhathal, Rawabi K.;
Huwaimel, Bader;
Elkashlan, Akram M.

Publication type:

Article

A hybrid quantum computing pipeline for real world drug discovery.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-67897-8

By:

Li, Weitang;
Yin, Zhi;
Li, Xiaoran;
Ma, Dongqiang;
Yi, Shuang;
Zhang, Zhenxing;
Zou, Chenji;
Bu, Kunliang;
Dai, Maochun;
Yue, Jie;
Chen, Yuzong;
Zhang, Xiaojin;
Zhang, Shengyu

Publication type:

Article

Computational screening combined with well-tempered metadynamics simulations identifies potential TMPRSS2 inhibitors.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-65296-7

By:

Sharanya, C. S.;
Wilbee, D. Sasikala;
Sathi, Shijulal Nelson;
Natarajan, Kathiresan

Publication type:

Article

System-agnostic prediction of pharmaceutical excipient miscibility via computing-as-a-service and experimental validation.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-65978-2

By:

Antipas, Georgios S. E.;
Reul, Regina;
Voges, Kristin;
Kyeremateng, Samuel O.;
Ntallis, Nikolaos A.;
Karalis, Konstantinos T.;
Miroslaw, Lukasz

Publication type:

Article

Selective Catalytic Reduction of NO by NH 3 and SO x Poisoning Mechanisms on Mn 3 O 4 Catalysts: A Density Functional Investigation.

Published in:

Catalysts (2073-4344), 2025, v. 15, n. 3, p. 241, doi. 10.3390/catal15030241

By:

Zhu, Houyu;
Liu, Zhennan;
Zhang, Xiaoxin;
Fan, Yucheng;
Wang, Xin;
Liu, Dongyuan;
Li, Xiaohan;
Gong, Xiaoxiao;
Guo, Wenyue;
Ren, Hao

Publication type:

Article

Effects of Site Geometry and Local Composition on Hydrogenation of Surface Carbon to Methane on Ni, Co, and NiCo Catalysts.

Published in:

Catalysts (2073-4344), 2022, v. 12, n. 11, p. 1380, doi. 10.3390/catal12111380

By:

Godoy, Sebastian;
Deshlahra, Prashant;
Villagra-Soza, Francisco;
Karelovic, Alejandro;
Jimenez, Romel

Publication type:

Article

Uptake of N2O5 by aqueous aerosol unveiled using chemically accurate many-body potentials.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-28697-8

By:

Cruzeiro, Vinícius Wilian D.;
Galib, Mirza;
Limmer, David T.;
Götz, Andreas W.

Publication type:

Article

Optimal reaction coordinates.

Published in:

WIREs: Computational Molecular Science, 2016, v. 6, n. 6, p. 748, doi. 10.1002/wcms.1276

By:

Banushkina, Polina V.;
Krivov, Sergei V.

Publication type:

Article

Holistic Approach for Studying Planetary Hydrospheres: Gibbs Representation of Ices Thermodynamics, Elasticity, and the Water Phase Diagram to 2,300 MPa.

Published in:

Journal of Geophysical Research. Planets, 2020, v. 125, n. 1, p. N.PAG, doi. 10.1029/2019JE006176

By:

Journaux, B.;
Brown, J. M.;
Pakhomova, A.;
Collings, I. E.;
Petitgirard, S.;
Espinoza, P.;
Boffa Ballaran, T.;
Vance, S. D.;
Ott, J.;
Cova, F.;
Garbarino, G.;
Hanfland, M.

Publication type:

Article

Covalent Inhibition of the Human 20S Proteasome with Homobelactosin C Inquired by QM/MM Studies.

Published in:

Pharmaceuticals (14248247), 2022, v. 15, n. 5, p. 531, doi. 10.3390/ph15050531

By:

Serrano-Aparicio, Natalia;
Ferrer, Silvia;
Świderek, Katarzyna

Publication type:

Article

Calorimetric Study of Micelle Formation of Alkylammonium Chlorides in Water.

Published in:

Journal of Oleo Science, 2018, v. 67, n. 11, p. 1417, doi. 10.5650/jos.ess18007

By:

Hideko Sahara;
Shigeharu Harada

Publication type:

Article