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Category:All HeadlinesWorld & GeopoliticsMarkets & EconomyTech & AIPoliticsSearch results for: "Solvated interaction ener" (30 stories)

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Intermolecular interactions optimization in weakly solvating ether solvents for wide-temperature Na metal batteries
Lead StoryNaturegeneral
Jun 8

Intermolecular interactions optimization in weakly solvating ether solvents for wide-temperature Na metal batteries

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE93OW0tbXBqQ0J1T09iLUdLd0N4RmNKTVFjWTI3MWFpc091b2NqenNsXzVYYXNESW8ydjBtblJJaXpKSUM2WjZXRHdlOUhSUUItNnBkNkJoWDdKYkZsUFpv?oc=5" target="_blank">Intermolecular interactions optimization in weakly solvating ether solvents for wide-temperature Na metal batteries</a>  <font color="#6f6f6f">Nature</font>

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Search Results for "Solvated interaction ener"

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29 stories displayed
Dispersion-Force-Induced Dipole–Dipole Interaction and Its Effects on Solvation Chemistry of Lithium-Ion Batteries
Wiley & Sonsgeneral

Dispersion-Force-Induced Dipole–Dipole Interaction and Its Effects on Solvation Chemistry of Lithium-Ion Batteries

<a href="https://news.google.com/rss/articles/CBMidkFVX3lxTE1GVjJUamlyOTZGTFpRZmlWZlBhQ1pTYmtHUC1qVUtoanlzcWJUUkYzc0JOb1NFV3NJemlJVTRaU1dvMWVlZHMzT2cwUGN2anRTY2VnNjZvNWZ2VVZwdzhhOVNNb0VsclV2aWRHSU9ZU1Fja216MVE?oc=5" target="_blank">Dispersion-Force-Induced Dipole–Dipole Interaction and Its Effects on Solvation Chemistry of Lithium-Ion Batteries</a>  <font color="#6f6f6f">Wiley & Sons</font>

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Solvated interaction energy: from small-molecule to antibody drug design
Frontiersgeneral

Solvated interaction energy: from small-molecule to antibody drug design

<a href="https://news.google.com/rss/articles/CBMioAFBVV95cUxPNExXSjYyb3IzWVRROE15T1JzZ2w2Y1dfTXU5eDd3VzBxLTRkc1RsNVBUNFpVWVFhQzlQU3NqSDBuMVZWQTJwOF9meXFQT3dYZ3lkMjdwUzkxVlRNTEdXUXVDSTh1TnFiU3d5T1MwV2V6Y283UUNwV3Q1bXhoREVKUnRmRXlHcHBQeURLT1dfT1lUM0stcVRqZEgzd2JqVzNf?oc=5" target="_blank">Solvated interaction energy: from small-molecule to antibody drug design</a>  <font color="#6f6f6f">Frontiers</font>

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Manipulating electrolyte solvation structures to build high-voltage concentration batteries for efficient energy storage
Naturegeneral

Manipulating electrolyte solvation structures to build high-voltage concentration batteries for efficient energy storage

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1kSDZtSG9UWEstMlFqYm84Yk5qUnF4SHZCYXJBTUwydGR5SFZ1QU8wbTg3NG9rZldERmxQZTl4UDRoM3kyOGVVZlVPZ3UtS1lJS1hNbGQ1REc1STlwS3E4?oc=5" target="_blank">Manipulating electrolyte solvation structures to build high-voltage concentration batteries for efficient energy storage</a>  <font color="#6f6f6f">Nature</font>

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Calculation of protein–ligand binding free energy by using a polarizable potential
PNASgeneral

Calculation of protein–ligand binding free energy by using a polarizable potential

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE45dmp5VWlPbUEtQ2J2aU9lZGh0Sng0WF9ySksxT0J0czhZZS1KS2d0R0paMng0VUI1VjBfQ0ZKSmNXNFNkaHR6WGNJTGRjeEIzc0tYU2FmaHcweEtQ?oc=5" target="_blank">Calculation of protein–ligand binding free energy by using a polarizable potential</a>  <font color="#6f6f6f">PNAS</font>

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Molecular merged hypergraph neural network for explainable solvation Gibbs free energy prediction
EurekAlert! Science News Releasestech

Molecular merged hypergraph neural network for explainable solvation Gibbs free energy prediction

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE56Q1pNcEFmME92TTRKbHhuVFM4cFFsRk1nNmNuNmQ1V1VNRk0yMjBUamEyZTZ4MzNkenVNd2NtaVRnT2dYMUp2ZnVOZGxjQ2Q1cENoOHdqS084OVo4?oc=5" target="_blank">Molecular merged hypergraph neural network for explainable solvation Gibbs free energy prediction</a>  <font color="#6f6f6f">EurekAlert! Science News Releases</font>

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Designing aggregates-dominated electrolyte via tuning cation-solvent interaction for high-safe and long-life sodium-ion batteries
ScienceDirect.comworld

Designing aggregates-dominated electrolyte via tuning cation-solvent interaction for high-safe and long-life sodium-ion batteries

<a href="https://news.google.com/rss/articles/CBMie0FVX3lxTFBuV3lsNG5pMTFsZ2hxQldQXzJUME12Wmtkd2E2aHMyTEU4Um5NTUdVbFNHQmE2U3h3YmJieXBIWm51c1pjaDNqV1FUN3dISTYxSU9jWDY3NG1BRW5OaFBtbGNPWjdfbzkzT2lROEVEeUVBUGM4Z2RodVNVZw?oc=5" target="_blank">Designing aggregates-dominated electrolyte via tuning cation-solvent interaction for high-safe and long-life sodium-ion batteries</a>  <font color="#6f6f6f">ScienceDirect.com</font>

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Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules
The Association for the Advancement of Artificial Intelligencegeneral

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules

<a href="https://news.google.com/rss/articles/CBMiY0FVX3lxTE9McVVSaEFxWXAxdXdvNjZSLU55XzQxWjNtclV4MHhIUHJ2anUxQXMzckJHYUdfcDVlM3I2cGZnc2xhZ1dXZHpNOXVFTFFFSHo4OGc2MmNXRy1FeXNhczVSYUs5OA?oc=5" target="_blank">Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules</a>  <font color="#6f6f6f">The Association for the Advancement of Artificial Intelligence</font>

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Solvation sheath reorganization enables fast ion transfer kinetics in lithium-ion battery
Naturegeneral

Solvation sheath reorganization enables fast ion transfer kinetics in lithium-ion battery

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFB3d04xcXRxWjlUaVhhNFhqRTRCSTg5OWI5RF82aEhjbHo0WnpFeXZxQlAxMHZQX0hSSUdmN2dlZ0ZuUUFYOTBJaldCTHFjMURSQ3NaSUNWamRsbU9WWHQ4?oc=5" target="_blank">Solvation sheath reorganization enables fast ion transfer kinetics in lithium-ion battery</a>  <font color="#6f6f6f">Nature</font>

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Modulating Interfacial Solvation via Ion Dipole Interactions for Low-Temperature and High-Voltage Lithium Batteries
Wiley Online Librarygeneral

Modulating Interfacial Solvation via Ion Dipole Interactions for Low-Temperature and High-Voltage Lithium Batteries

<a href="https://news.google.com/rss/articles/CBMiakFVX3lxTFBxNlQ0MExtNG1OclBDRmJTSTJJMzFKYjJRMmFsYTFZdkVQY2EwTmVibTJWUzU4MkZUX1pKa0pLMW9fRkpjWDVpRzBTenM1MGl1aUNHOE5lWlh2cGhQOEtna2hDYWtQUjZFbkE?oc=5" target="_blank">Modulating Interfacial Solvation via Ion Dipole Interactions for Low-Temperature and High-Voltage Lithium Batteries</a>  <font color="#6f6f6f">Wiley Online Library</font>

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Chain effect-controlled solvation chemistry and interfacial microstructure enables highly reversible Zn metal anode
ScienceDirect.comtech

Chain effect-controlled solvation chemistry and interfacial microstructure enables highly reversible Zn metal anode

<a href="https://news.google.com/rss/articles/CBMie0FVX3lxTE9kYU1OMnNVTXlxMXVQaC1EYnU1Q0IzR3dqRmlDWVFMN3R4M3RsZEJDU1BtQ3FNWmJnOUdib01GckEtb25DVDRnNkJ5bUIyZ2FERXZUNUVEYm9KVkxQazhrXzBEa0VlYnI4WElwNnRMMEFSZ0NmR0pmUFM0cw?oc=5" target="_blank">Chain effect-controlled solvation chemistry and interfacial microstructure enables highly reversible Zn metal anode</a>  <font color="#6f6f6f">ScienceDirect.com</font>

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Enhancing Low-Temperature Performance of Sodium-Ion Batteries via Anion-Solvent Interactions
Wiley & Sonsgeneral

Enhancing Low-Temperature Performance of Sodium-Ion Batteries via Anion-Solvent Interactions

<a href="https://news.google.com/rss/articles/CBMidkFVX3lxTE8wRVdTV1FZRkhtRDRHSXBKb1c4UDA4T1VBTFBwUEhvZS0yMWZNMTMzck80TUtJcDU1TkZwbDZXSk5PMFY2VzdGR0tMb3RFbU4xN3pjdnNoRXl0a1pQenROSUdzTi1rd2Nsblc4blZuSy14WmNEanc?oc=5" target="_blank">Enhancing Low-Temperature Performance of Sodium-Ion Batteries via Anion-Solvent Interactions</a>  <font color="#6f6f6f">Wiley & Sons</font>

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Quantum chemical benchmark databases of gold-standard dimer interaction energies
Naturegeneral

Quantum chemical benchmark databases of gold-standard dimer interaction energies

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE82SlMtVU9xbml2VlZCTlNxUGJKX05YdmpmR2haVFo3LWkxUWduZnRUTTNXaVNtalU0V19Bb1hQYV9VdmY3Mkc0enRRVjMxRGNvejJlZ3ZIdlZKLWRsektB?oc=5" target="_blank">Quantum chemical benchmark databases of gold-standard dimer interaction energies</a>  <font color="#6f6f6f">Nature</font>

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Solvation engineering decouples bulk and interfacial chemistry for robust potassium-ion batteries
Naturegeneral

Solvation engineering decouples bulk and interfacial chemistry for robust potassium-ion batteries

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFAzWFJFeVJuYTlnOTk2VkdsZmx1SmlFM1FIaFB6MUpVMlB3YU5xaHlHVVh5OXNHYzFhMXBqZXhXLWM4X0hqSkhDdzFqY0dDbUExcXh0NEw1bUpoUXFZZE1F?oc=5" target="_blank">Solvation engineering decouples bulk and interfacial chemistry for robust potassium-ion batteries</a>  <font color="#6f6f6f">Nature</font>

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Multiscale molecular simulations for the solvation of lignin in ionic liquids - Scientific Reports
Naturegeneral

Multiscale molecular simulations for the solvation of lignin in ionic liquids - Scientific Reports

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5FVmNEbUFoQm56am5qN2tZdmdQMllMTm1lM0pucW9OZUpqX0liNVAxcTBoaWVzaFBfSmdlTE14VG9Hay0zYVNtSE5mVVlNWmdqRXF2dExNbGQ2MjgtRHFj?oc=5" target="_blank">Multiscale molecular simulations for the solvation of lignin in ionic liquids - Scientific Reports</a>  <font color="#6f6f6f">Nature</font>

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Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules
Naturegeneral

Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE9jdzBZVGpVal9rdk9nZURnUWdQOUM1TjlCemJqd1loWEN6NTgyUHotckpPZno1dHBDWmsyTmZZSmM1QnR1QVdSQ2s1M3Jldi16RUtqdENYcWk1Tzk1Smlv?oc=5" target="_blank">Dataset for quantum-mechanical exploration of conformers and solvent effects in large drug-like molecules</a>  <font color="#6f6f6f">Nature</font>

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Dependency of solvation effects on metal identity in surface reactions
Naturegeneral

Dependency of solvation effects on metal identity in surface reactions

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFB5ckZaWi1sbl9KRmQ5N0d3Rl90U3lqWXZQa2lXdnJrakNXc2NlSGh5RWRCZUdtZjFzV3FDdFYzalhzTHhKY3VsNFRxR2ZGVjBqVkJYWW9XZUJ2TkJReFlj?oc=5" target="_blank">Dependency of solvation effects on metal identity in surface reactions</a>  <font color="#6f6f6f">Nature</font>

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Temperature-responsive solvation enabled by dipole-dipole interactions towards wide-temperature sodium-ion batteries
Naturegeneral

Temperature-responsive solvation enabled by dipole-dipole interactions towards wide-temperature sodium-ion batteries

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBPcXhYLWxyMFB2RmdpcEd6Wm9HRFpMZWgzTTFUQUhFMjhsMkQtQ3FhWVh5dTdSR1dfcmFpQ1dVMkhKVVZYUWtyb0tCdmNZVnBiaTdFOHQ3bzdGVVF3MHow?oc=5" target="_blank">Temperature-responsive solvation enabled by dipole-dipole interactions towards wide-temperature sodium-ion batteries</a>  <font color="#6f6f6f">Nature</font>

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Molecular basis for the regulation of membrane proteins through preferential lipid solvation
Naturegeneral

Molecular basis for the regulation of membrane proteins through preferential lipid solvation

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1YNGpfWnhlakJSNU5WUEtQUDQzcVQzbVpRV3M2aGF4dzBOZTBoallaTjF4TkZUS2xMeHNIci0zQjVla0YtNmJTSHp6S3Jnb3FXWTVYaVpGU3NWM3Z0eXdr?oc=5" target="_blank">Molecular basis for the regulation of membrane proteins through preferential lipid solvation</a>  <font color="#6f6f6f">Nature</font>

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Breaking solvation dominance of ethylene carbonate via molecular charge engineering enables lower temperature battery
Naturegeneral

Breaking solvation dominance of ethylene carbonate via molecular charge engineering enables lower temperature battery

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE0zVVk3dXN1X0duRjZiN2dnSTNrTXZ5WTJfY0tiQms4TFVZay1BN1ZwakpPd0MtZWpZQW8wTlZ3cUVhVjhYVWsxNXJzc1ZEQmVSbjlULU9tWEUxZVVZNzlv?oc=5" target="_blank">Breaking solvation dominance of ethylene carbonate via molecular charge engineering enables lower temperature battery</a>  <font color="#6f6f6f">Nature</font>

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Enhanced Ion Solvation and Conductivity in Lithium-Ion Electrolytes via Tailored EMC-TMS Solvent Mixtures: A Molecular Dynamics Study
ACS Publicationstech

Enhanced Ion Solvation and Conductivity in Lithium-Ion Electrolytes via Tailored EMC-TMS Solvent Mixtures: A Molecular Dynamics Study

<a href="https://news.google.com/rss/articles/CBMipwFBVV95cUxPWVU1ZlhsRDliVzN0S09FLV9ZNk5ybnJ0WG04UWZ0b1g3YnVIN1dEVkxtQzc1YTg4VzZEV2FFWEZzRXlzYnZpM2RDWXRMcWhjZVFVaWVMcWhsUGhZekhIWVdJTDVCbVAwbExvU2NBVU5oZTlBMm9RSFBjVGhmem85bUlLWVFDR24tTHBfdjBTMExSaEdLSTZVVU54MWk2U19WM1BySUFIZw?oc=5" target="_blank">Enhanced Ion Solvation and Conductivity in Lithium-Ion Electrolytes via Tailored EMC-TMS Solvent Mixtures: A Molecular Dynamics Study</a>  <font color="#6f6f6f">ACS Publications</font>

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Dihydrogen-bonding interactions in ether-based electrolytes to enable high-voltage lithium metal batteries
Naturegeneral

Dihydrogen-bonding interactions in ether-based electrolytes to enable high-voltage lithium metal batteries

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE1sM2tORnVDUTE1bHFHRFR4cHY4Y25ibWlMa3NHMDRpeWFaOEwtZFc3TE9WSVlicUNOTU9WVXJfMm1Bc0c0aVRNeVZSbXEtYWJZVXVWd1ZMSk15VHFsUGQw?oc=5" target="_blank">Dihydrogen-bonding interactions in ether-based electrolytes to enable high-voltage lithium metal batteries</a>  <font color="#6f6f6f">Nature</font>

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A path towards high lithium-metal electrode coulombic efficiency based on electrolyte interaction motif descriptor
Naturegeneral

A path towards high lithium-metal electrode coulombic efficiency based on electrolyte interaction motif descriptor

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFA5TzVZWUFMRVY1RWtMb2VESEpMTHdTa01wazVXM0l5eTkxSEJIVGZkazJkb0VBQjZ3U25tNEViRVpDeWhyUHZPSk9wZFRubVZFNlJEUzZsWFVGNnkwbUtZ?oc=5" target="_blank">A path towards high lithium-metal electrode coulombic efficiency based on electrolyte interaction motif descriptor</a>  <font color="#6f6f6f">Nature</font>

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Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation
Naturegeneral

Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation

<a href="https://news.google.com/rss/articles/CBMiU0FVX3lxTFBfbXJocHM2S2Z3eXlpbFNZcEI5M2NRNG9WVjRVUXRiSi1KM0dFREpwLWpsRGU4Y0lyT1NlWGdMMEptdnBSV1dCLWRhMFN2TVBldWR3?oc=5" target="_blank">Probing Origin of Binding Difference of inhibitors to MDM2 and MDMX by Polarizable Molecular Dynamics Simulation and QM/MM-GBSA Calculation</a>  <font color="#6f6f6f">Nature</font>

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Homogeneous polymer-ionic solvate electrolyte with weak dipole-dipole interaction enabling long cycling pouch lithium metal battery
Naturegeneral

Homogeneous polymer-ionic solvate electrolyte with weak dipole-dipole interaction enabling long cycling pouch lithium metal battery

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTFBSUnFCSnZEVnc5YkMxX2xXd0NaWDI4UEdvNXpjLUpzZk9Wek9SQ2NsTUxKMVNpS3BueDRjR2M4ektMUElncVVjR1VUaHhQSzRqcjV5WGszb3NXd2g5cHZV?oc=5" target="_blank">Homogeneous polymer-ionic solvate electrolyte with weak dipole-dipole interaction enabling long cycling pouch lithium metal battery</a>  <font color="#6f6f6f">Nature</font>

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Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy
Naturegeneral

Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy

<a href="https://news.google.com/rss/articles/CBMiU0FVX3lxTE9vaUlkOWFpeGU1QmhfSzRWRkw3S1Zqd1BMeDJPMWRGcGN1RVFmWGdPcDNFRENiZVA3b2puYkVfTkhIRUtob05qbkN0WWU3WTl1cEIw?oc=5" target="_blank">Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy</a>  <font color="#6f6f6f">Nature</font>

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Dipole-dipole interaction-induced dense primitive solid-electrolyte interphase for high-power Ah-level anode-free sodium metal batteries
Naturegeneral

Dipole-dipole interaction-induced dense primitive solid-electrolyte interphase for high-power Ah-level anode-free sodium metal batteries

<a href="https://news.google.com/rss/articles/CBMiX0FVX3lxTE5sT19BbWJDZnQ3OXlFcnpPb0Y2RzlGTXpRb0ZvQ3lqNlFyVi1UX01MOUFOZ0tIR19vSkdwdHBzZ0FEMVE2MTh0M0RHdFpnQUIzNUJKajA5cVJqY21tYmY4?oc=5" target="_blank">Dipole-dipole interaction-induced dense primitive solid-electrolyte interphase for high-power Ah-level anode-free sodium metal batteries</a>  <font color="#6f6f6f">Nature</font>

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Disassembling Solvation Free Energies into Local Contributions
Advanced Science Newsgeneral

Disassembling Solvation Free Energies into Local Contributions

<a href="https://news.google.com/rss/articles/CBMioAFBVV95cUxPNU85VHdwNkxNM2pJTGxCSGZDZVJhT0pCd1EyZmdNdk9sWUYxWlBZWWhlYkItRXVCOTFicUQ4Y2VqM0JTS2VINmk1eEg5SG9UWmh6ZERsSGpiMHBJc2NjMHJjVGxSMU1KRVdrSXVGbi1hYjl5WVVpcmlJM1Jkb2EyRkNSdEREWGloOWVtSGlZeEhuTkRmU2dDZXB4NHJpcl9f?oc=5" target="_blank">Disassembling Solvation Free Energies into Local Contributions</a>  <font color="#6f6f6f">Advanced Science News</font>

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Properties of hydrophobic free energy found by gas–liquid transfer
PNASworld

Properties of hydrophobic free energy found by gas–liquid transfer

<a href="https://news.google.com/rss/articles/CBMiXEFVX3lxTE43Q1VrMkdjZTI5UkE1WGl1V193cEJBUV82d3hTSGo4QW5yYk9IMjFPYjgtTWs3ME1oQmYwVV9XdXNXc2xLT0ZQRTIwMGg5M0xxeElST1llNVQzd2hK?oc=5" target="_blank">Properties of hydrophobic free energy found by gas–liquid transfer</a>  <font color="#6f6f6f">PNAS</font>

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Electrolyte Solvation Structure Design for Sodium Ion Batteries
Wiley & Sonsgeneral

Electrolyte Solvation Structure Design for Sodium Ion Batteries

<a href="https://news.google.com/rss/articles/CBMidkFVX3lxTE4xSVAzZ2hSa2EyUFRfbWVZQVdmWUJ6RXlsSl9vd0N1R0F3TGZwZnA5U3Jva1ctRUtnWHFZaW9qVmptaVdteW0xXy1YZFF3Si14S1J2bDRaOVIxZlVfeUFGQWFRVWpJT3lBNEZiV1hJUi1VdUZBWFE?oc=5" target="_blank">Electrolyte Solvation Structure Design for Sodium Ion Batteries</a>  <font color="#6f6f6f">Wiley & Sons</font>

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