Статті в журналах з теми "Solvation entropies"
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Golden, Sidney, and Thomas R. Tuttle. "Entropies of solvation of solvated electrons." Journal of Physical Chemistry 95, no. 10 (May 1991): 4109–13. http://dx.doi.org/10.1021/j100163a039.
Повний текст джерелаWaibl, Franz, Johannes Kraml, Monica L. Fernández-Quintero, Johannes R. Loeffler, and Klaus R. Liedl. "Explicit solvation thermodynamics in ionic solution: extending grid inhomogeneous solvation theory to solvation free energy of salt–water mixtures." Journal of Computer-Aided Molecular Design 36, no. 2 (January 15, 2022): 101–16. http://dx.doi.org/10.1007/s10822-021-00429-y.
Повний текст джерелаMarcus, Y. "The solvation number of ions obtained from their entropies of solvation." Journal of Solution Chemistry 15, no. 4 (April 1986): 291–306. http://dx.doi.org/10.1007/bf00648884.
Повний текст джерелаIrwin, Benedict W. J., and David J. Huggins. "On the accuracy of one- and two-particle solvation entropies." Journal of Chemical Physics 146, no. 19 (May 21, 2017): 194111. http://dx.doi.org/10.1063/1.4983654.
Повний текст джерелаAbe, Takehiro. "Theoretical Estimation of the Entropies of Solvation of Univalent Ions." Bulletin of the Chemical Society of Japan 64, no. 9 (September 1991): 2844–45. http://dx.doi.org/10.1246/bcsj.64.2844.
Повний текст джерелаHefter, Glenn. "Ion solvation in aqueous–organic mixtures." Pure and Applied Chemistry 77, no. 3 (January 1, 2005): 605–17. http://dx.doi.org/10.1351/pac200577030605.
Повний текст джерелаReinhard, Friedemann, and Helmut Grubmüller. "Estimation of absolute solvent and solvation shell entropies via permutation reduction." Journal of Chemical Physics 126, no. 1 (January 7, 2007): 014102. http://dx.doi.org/10.1063/1.2400220.
Повний текст джерелаSingh, Nidhi, and Arieh Warshel. "Toward Accurate Microscopic Calculation of Solvation Entropies: Extending the Restraint Release Approach to Studies of Solvation Effects." Journal of Physical Chemistry B 113, no. 20 (May 21, 2009): 7372–82. http://dx.doi.org/10.1021/jp811063v.
Повний текст джерелаAshbaugh, Henry S. "Assessment of scaled particle theory predictions of the convergence of solvation entropies." Fluid Phase Equilibria 530 (February 2021): 112885. http://dx.doi.org/10.1016/j.fluid.2020.112885.
Повний текст джерелаHeinz, Leonard P., and Helmut Grubmüller. "Calculation of Absolute Solvation Shell Entropies from MD Trajectories via Permutation Reduction." Biophysical Journal 114, no. 3 (February 2018): 677a. http://dx.doi.org/10.1016/j.bpj.2017.11.3652.
Повний текст джерелаDuignan, Timothy T., Drew F. Parsons, and Barry W. Ninham. "A Continuum Solvent Model of the Partial Molar Volumes and Entropies of Ionic Solvation." Journal of Physical Chemistry B 118, no. 11 (March 5, 2014): 3122–32. http://dx.doi.org/10.1021/jp410956m.
Повний текст джерелаSolis, JS, PM May, and G. Hefter. "Cyanide Thermodynamics. III. Enthalpies and Entropies of Ionization of Water and Hydrogen Cyanide." Australian Journal of Chemistry 49, no. 6 (1996): 651. http://dx.doi.org/10.1071/ch9960651.
Повний текст джерелаHefter, GT, and PJ Mclay. "Solvation of Fluoride Ions. II. Enthalpies and Entropies of Transfer From Water to Aqueous Methanol." Australian Journal of Chemistry 41, no. 12 (1988): 1971. http://dx.doi.org/10.1071/ch9881971.
Повний текст джерелаGlover, Stephen A., and Meredith Adams. "Reaction of N-Acyloxy-N-alkoxyamides with Biological Thiol Groups." Australian Journal of Chemistry 64, no. 4 (2011): 443. http://dx.doi.org/10.1071/ch10470.
Повний текст джерелаSalem, Shereen E., Esam A. Gomaa, Mohamed M. El-Defrawy, and Noha M. Ebrahem. "Studies on the Complexation of Succinic Hydrazide with Copper Chloride Salt." European Journal of Advanced Chemistry Research 2, no. 1 (February 11, 2021): 14–20. http://dx.doi.org/10.24018/ejchem.2021.2.1.40.
Повний текст джерелаde Namor, Angela F. Danil. "Linear correlation between entropies of complexation of cryptand 222 with metal ions in non-aqueous solvents and entropies of solvation of these ions in these solvents." Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases 84, no. 7 (1988): 2441. http://dx.doi.org/10.1039/f19888402441.
Повний текст джерелаde Namor, Angela F. Danil, and Franz Fernandez Salazar. "Thermodynamic parameters for the complexation process between metal(I) cations and dibenzocryptand 222 in dipolar, aprotic solvents. Linear correlation between entropies of complexation and entropies of solvation of cations." Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases 84, no. 10 (1988): 3539. http://dx.doi.org/10.1039/f19888403539.
Повний текст джерелаFlorián, Jan, and Arieh Warshel. "Calculations of Hydration Entropies of Hydrophobic, Polar, and Ionic Solutes in the Framework of the Langevin Dipoles Solvation Model." Journal of Physical Chemistry B 103, no. 46 (November 1999): 10282–88. http://dx.doi.org/10.1021/jp992041r.
Повний текст джерелаReif, Maria M., and Philippe H. Hünenberger. "Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ions." Journal of Chemical Physics 134, no. 14 (April 14, 2011): 144103. http://dx.doi.org/10.1063/1.3567020.
Повний текст джерелаMenezes, Filipe, and Grzegorz Maria Popowicz. "How to Catch the Ball: Fullerene Binding to the Corannulene Pincer." Molecules 27, no. 12 (June 15, 2022): 3838. http://dx.doi.org/10.3390/molecules27123838.
Повний текст джерелаSchweitzer-Stenner, Reinhard, Bridget Milorey, and Harald Schwalbe. "Randomizing of Oligopeptide Conformations by Nearest Neighbor Interactions between Amino Acid Residues." Biomolecules 12, no. 5 (May 11, 2022): 684. http://dx.doi.org/10.3390/biom12050684.
Повний текст джерелаAlghaith, Adel F., Wael A. Mahdi, Nazrul Haq, Sultan Alshehri, and Faiyaz Shakeel. "Solubility and Thermodynamic Properties of Febuxostat in Various (PEG 400 + Water) Mixtures." Materials 15, no. 20 (October 19, 2022): 7318. http://dx.doi.org/10.3390/ma15207318.
Повний текст джерелаNevěčná, Taťjana, Vojtěch Bekárek, and Oldřich Pytela. "A Study of Effects of Temperature and Medium on Reaction of Triethylamine with Ethyl Bromide." Collection of Czechoslovak Chemical Communications 59, no. 6 (1994): 1384–91. http://dx.doi.org/10.1135/cccc19941384.
Повний текст джерелаOhtsu, Kumiko, Kazuhiko Ozutsumi, Makoto Kurihara, and Takuji Kawashima. "Thermodynamics of Complexation of Sodium Ion with 12-Crown-4 and 18-Crown-6 in Pyridine." Zeitschrift für Naturforschung B 50, no. 4 (April 1, 1995): 529–35. http://dx.doi.org/10.1515/znb-1995-0410.
Повний текст джерелаMaham, Yadollah, and Gordon R. Freeman. "Effect of solvent structure on electron reactivity: 2-propanol/water mixtures." Canadian Journal of Chemistry 66, no. 7 (July 1, 1988): 1706–11. http://dx.doi.org/10.1139/v88-276.
Повний текст джерелаInada, Y., Y. Tsutsui, H. Wasada, and S. Funahashi. "Solvation Structure of Solvated Cu(I) Ions in Non-Aqueous Solvents as Studied by EXAFS and ab initio Molecular Orbital Methods." Zeitschrift für Naturforschung B 54, no. 2 (February 1, 1999): 193–99. http://dx.doi.org/10.1515/znb-1999-0207.
Повний текст джерелаGiesen, David J., Christopher J. Cramer, and Donald G. Truhlar. "Entropic Contributions to Free Energies of Solvation." Journal of Physical Chemistry 98, no. 15 (April 1994): 4141–47. http://dx.doi.org/10.1021/j100066a038.
Повний текст джерелаMikheev, Yu A., and G. E. Zaikov. "The Entropic Mechanism of Water Solvation of Polymers." International Journal of Polymeric Materials and Polymeric Biomaterials 46, no. 3-4 (July 2000): 511–32. http://dx.doi.org/10.1080/00914030008033893.
Повний текст джерелаMikheev, Yu A., and G. E. Zaikov. "The Entropic Mechanism of Water Solvation by Polymers." Polymers and Polymer Composites 9, no. 1 (January 2001): 51–61. http://dx.doi.org/10.1177/096739110100900107.
Повний текст джерелаMukadam, A. A., та A. L. L. East. "Challenges in predicting ΔrxnG in solution: The chelate effect". Journal of Chemical Physics 157, № 3 (21 липня 2022): 034109. http://dx.doi.org/10.1063/5.0097291.
Повний текст джерелаHou, Kevin J., and Jian Qin. "Solvation and Entropic Regimes in Ion-Containing Block Copolymers." Macromolecules 51, no. 19 (September 17, 2018): 7463–75. http://dx.doi.org/10.1021/acs.macromol.8b01616.
Повний текст джерелаZHAN, JIN-HUI, XI ZHAO, XU-RI HUANG, and CHIA-CHUNG SUN. "INTERACTIONS BETWEEN HUMAN SLINGSHOT PHOSPHATASE 2 AND PHOSPHO-COFILIN: A MOLECULAR DYNAMICS STUDY." Journal of Theoretical and Computational Chemistry 08, no. 02 (April 2009): 233–50. http://dx.doi.org/10.1142/s0219633609004770.
Повний текст джерелаTundo, Pietro, Fabio Aricò, Anthony E. Rosamilia, Maurizio Rigo, Andrea Maranzana, and Glauco Tonachini. "Reaction of dialkyl carbonates with alcohols: Defining a scale of the best leaving and entering groups." Pure and Applied Chemistry 81, no. 11 (October 31, 2009): 1971–79. http://dx.doi.org/10.1351/pac-con-08-12-02.
Повний текст джерелаGoethe, Martin, Ignacio Fita, and J. Rubi. "Entropic Stabilization of Cas4 Protein SSO0001 Predicted with Popcoen." Entropy 20, no. 8 (August 7, 2018): 580. http://dx.doi.org/10.3390/e20080580.
Повний текст джерелаPizio and Sokolowski. "Entropic solvation force between surfaces modified by grafted chains: a density functional approach." Condensed Matter Physics 13, no. 1 (2010): 13602. http://dx.doi.org/10.5488/cmp.13.13602.
Повний текст джерелаDas, Bedamati, and Hagai Meirovitch. "Solvation parameters for predicting the structure of surface loops in proteins: Transferability and entropic effects." Proteins: Structure, Function, and Genetics 51, no. 3 (May 15, 2003): 470–83. http://dx.doi.org/10.1002/prot.10356.
Повний текст джерелаSelf, Julian, Helen K. Bergstrom, Kara D. Fong, Bryan D. McCloskey, and Kristin A. Persson. "A Theoretical Model for Computing Freezing Point Depression of Lithium-Ion Battery Electrolytes." Journal of The Electrochemical Society 168, no. 12 (December 1, 2021): 120532. http://dx.doi.org/10.1149/1945-7111/ac3e47.
Повний текст джерелаMitrasinovic, Petar M. "Small-Molecule Interaction with G-Quadruplex DNA." Croatica chemica acta 92, no. 1 (2019): 43–57. http://dx.doi.org/10.5562/cca3456.
Повний текст джерелаZhou, Yucheng, Etienne Le Calvez, Sun Woong Baek, Matevž Frajnkovič, Camille Douard, Olivier Crosnier, Thierry Brousse, and Laurent Pilon. "Effect of Particle Size on Thermodynamics and Lithium Ion Transport in Ti2Nb2O9 Electrodes Synthesized By Solid State or Sol-Gel Method." ECS Meeting Abstracts MA2022-01, no. 2 (July 7, 2022): 258. http://dx.doi.org/10.1149/ma2022-012258mtgabs.
Повний текст джерелаMorgon, Nelson H., Srijit Biswas, Surajit Duari, and Aguinaldo R. de Souza. "Solvent Effects in the Regioselective N-Functionalization of Tautomerizable Heterocycles Catalyzed by Methyl Trifluoromethanesulfonate: A Density Functional Theory Study with Implicit Solvent Model." Computation 10, no. 10 (September 26, 2022): 172. http://dx.doi.org/10.3390/computation10100172.
Повний текст джерелаOrtiz, Claudia Patricia, Rossember Edén Cardenas-Torres, Fleming Martínez, and Daniel Ricardo Delgado. "Solubility of Sulfamethazine in the Binary Mixture of Acetonitrile + Methanol from 278.15 to 318.15 K: Measurement, Dissolution Thermodynamics, Preferential Solvation, and Correlation." Molecules 26, no. 24 (December 14, 2021): 7588. http://dx.doi.org/10.3390/molecules26247588.
Повний текст джерелаIsraelachvili, Jacob. "Differences between non-specific and bio-specific, and between equilibrium and non-equilibrium, interactions in biological systems." Quarterly Reviews of Biophysics 38, no. 4 (November 2005): 331–37. http://dx.doi.org/10.1017/s0033583506004203.
Повний текст джерелаJakhar, Ritu, Mehak Dangi, Alka Khichi, and Anil Kumar Chhillar. "Relevance of Molecular Docking Studies in Drug Designing." Current Bioinformatics 15, no. 4 (June 11, 2020): 270–78. http://dx.doi.org/10.2174/1574893615666191219094216.
Повний текст джерелаSaini, Jagmohan S., Nadine Homeyer, Simone Fulle, and Holger Gohlke. "Determinants of the species selectivity of oxazolidinone antibiotics targeting the large ribosomal subunit." Biological Chemistry 394, no. 11 (November 1, 2013): 1529–41. http://dx.doi.org/10.1515/hsz-2013-0188.
Повний текст джерелаDangles, Olivier, and Raymond Brouillard. "Polyphenol interactions. The copigmentation case: thermodynamic data from temperature variation and relaxation kinetics. Medium effect." Canadian Journal of Chemistry 70, no. 8 (August 1, 1992): 2174–89. http://dx.doi.org/10.1139/v92-273.
Повний текст джерелаKomarov, Pavel V., Pavel G. Khalatur, and Alexei R. Khokhlov. "Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport." Beilstein Journal of Nanotechnology 4 (September 26, 2013): 567–87. http://dx.doi.org/10.3762/bjnano.4.65.
Повний текст джерелаLuan, Chi-Hao, John Jaggard, R. Dean Harris, and Dan W. Urry. "On the source of entropic elastomeric force in polypeptides and proteins: Backbone configurational vs. side-chain solvational entropy." International Journal of Quantum Chemistry 36, S16 (June 19, 2009): 235–44. http://dx.doi.org/10.1002/qua.560360718.
Повний текст джерелаFianchini, Mauro, Lluis Llorens, and Miquel A. Pericàs. "Separating Enthalpic, Configurational, and Solvation Entropic Components in Host–Guest Binding: Application to Cucurbit[7]uril Complexes through a Full In Silico Approach via Water Nanodroplets." Journal of Physical Chemistry B 124, no. 46 (November 9, 2020): 10486–99. http://dx.doi.org/10.1021/acs.jpcb.0c08507.
Повний текст джерелаWarshel, Arieh, and William W. Parson. "Dynamics of biochemical and biophysical reactions: insight from computer simulations." Quarterly Reviews of Biophysics 34, no. 4 (November 2001): 563–679. http://dx.doi.org/10.1017/s0033583501003730.
Повний текст джерелаLeckband, Deborah, and Jacob Israelachvili. "Intermolecular forces in biology." Quarterly Reviews of Biophysics 34, no. 2 (May 2001): 105–267. http://dx.doi.org/10.1017/s0033583501003687.
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