Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 13

Results: 27

Cover Feature: CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme (ChemPhysChem 13/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400645

By:

Rovaletti, Anna;
Moro, Giorgio;
Cosentino, Ugo;
Ryde, Ulf;
Greco, Claudio

Publication type:

Article

Front Cover: Phase Transition in Silicon from Machine Learning Informed Metadynamics (ChemPhysChem 13/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400644

By:

Bhullar, Mangladeep;
Bai, Zihao;
Akinpelu, Akinwumi;
Yao, Yansun

Publication type:

Article

CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400293

By:

Rovaletti, Anna;
Moro, Giorgio;
Cosentino, Ugo;
Ryde, Ulf;
Greco, Claudio

Publication type:

Article

Blue‐ and Red‐Shifting C−H⋯O Hydrogen Bonds of Cyclic Ethers with Haloforms: Effect of Ring‐Size and Consistency with Bent's Rule.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400263

By:

Paul, Bijan K.

Publication type:

Article

Metal Organic Frameworks as Polysulfide Reaction Modulators for Lithium Sulfur Batteries: Advances and Perspectives.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400239

By:

Fan, Xuliang;
Zhang, You;
Peng, Ruosi;
Liang, Zheng;
Zhou, Xunfu;
Luo, Xiaonan;
Chen, Rong;
Li, Ping;
Yu, Dingshan

Publication type:

Article

Photoionization and Dissociative Photoionization of Acetaldehyde in the 10.0–13.7 eV Range by Synchrotron Photoelectron Photoion Coincidence Spectroscopy.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400208

By:

Wu, Xiangkun;
Zhang, Cuihong;
Gu, Xuejun;
Fittschen, Christa;
Loison, Jean‐Christophe;
Roy Chowdhury, Madhusree;
Garcia, Gustavo A.;
Nahon, Laurent;
Tang, Xiaofeng

Publication type:

Article

Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400207

By:

Prosmiti, Rita;
González‐Lezana, Tomás

Publication type:

Article

Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400199

By:

Morankar, Ankita;
Atanassov, Plamen;
Greeley, Jeffrey

Publication type:

Article

Effect of Thermo‐ and pH‐Sensitive Block Copolymer Structure and Composition on the Synthesis and Stabilization of Gold Nanoparticles.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400194

By:

Yin, Fang;
Wan, Yuezhan;
Ciuculescu‐Pradines, Diana;
Lauth‐de Viguerie, Nancy;
Marty, Jean‐Daniel

Publication type:

Article

Editorial – "Special Collection: 30 Years of PIP" – Physicochemistry of Interfacial Phenomena.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400181

By:

Wiśniewska, Małgorzata;
Nowicki, Piotr

Publication type:

Article

Flexible Full‐Inorganic Ultrathin Films with Stable Circularly Polarized Luminescence Covering the Visible to Near‐Infrared Region.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400138

By:

Wu, Wenxuan;
Yao, Wenyan;
Zuo, Lulu;
Li, Xinwei;
Yang, Xuekang;
Liu, Yaling;
Tang, Zhiyong

Publication type:

Article

Beyond Electrons: Correlation and Self‐Energy in Multicomponent Density Functional Theory.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400120

By:

Holzer, Christof;
Franzke, Yannick J.

Publication type:

Article

Elastin‐Like Peptide as a Model for Disordered Proteins: Diffusion Behaviour in Self‐Crowding Conditions.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400117

By:

Weißheit, Susann;
Kuttich, Björn;
Vogel, Michael;
Thiele, Christina Marie

Publication type:

Article

Spectral Phasor Applied to Spectrally‐Resolved Single Molecule Localization Microscopy.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400101

By:

Manko, Hanna;
Burton, Matthew G.;
Mély, Yves;
Godet, Julien

Publication type:

Article

A Density Functional Theory Analysis of Electrochemical Oxidation of Methane to Alcohol over High‐Entropy Oxide (CoCrFeMnNi)3O4 Catalysts.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400098

By:

Kishore, M. R. Ashwin;
Lee, Sungwoo;
Yoo, Jong Suk

Publication type:

Article

Phase Transition in Silicon from Machine Learning Informed Metadynamics.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400090

By:

Bhullar, Mangladeep;
Bai, Zihao;
Akinpelu, Akinwumi;
Yao, Yansun

Publication type:

Article

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400073

By:

Broderick, Kirby;
Burnley, Robert A.;
Gellman, Andrew J.;
Kitchin, John R.

Publication type:

Article

Comprehensive Study of Ti and Ta Co‐Doping in Ni‐Rich Cathode Material LiNi0.8Mn0.1Co0.1O2 Towards Improving the Electrochemical Performance.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400064

By:

Kumar, Deepak;
Ramesha, K.

Publication type:

Article

Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400010

By:

Deo, Shyam;
Kreider, Melissa E.;
Kamat, Gaurav;
Hubert, McKenzie;
Zamora Zeledón, José A.;
Wei, Lingze;
Matthews, Jesse;
Keyes, Nathaniel;
Singh, Ishaan;
Jaramillo, Thomas F.;
Abild‐Pedersen, Frank;
Burke Stevens, Michaela;
Winther, Kirsten;
Voss, Johannes

Publication type:

Article

Chemical Bonding, 10Dq Parameter and Superexchange in the Model Compound KNiF3.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202400006

By:

Sánchez‐Movellán, Inés;
Aramburu, José Antonio;
Moreno, Miguel

Publication type:

Article

Electrochemical Nitrogen Reduction to Ammonia at Ambient Condition on the (111) Facets of Transition Metal Carbonitrides.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300991

By:

Iqbal, Atef;
Skulason, Egill;
Abghoui, Younes

Publication type:

Article

Atomic Scale Insights into Reversible Oxygen Storage in Vanadium Oxide Thin Films.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300988

By:

Missaoui, Ghada;
Wemhoff, Piotr Igor;
Nilius, Niklas

Publication type:

Article

The Hydrogen Evolution Activity of BaZrS3, BaTiS3, and BaVS3 Chalcogenide Perovskites.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300953

By:

Humphrey, Nicholas;
Tsung, Alicia;
Singh, Shantanu;
Irshad, Ahamed;
Zhao, Boyang;
Narayan, Sri;
Ravichandran, Jayakanth;
Mallikarjun Sharada, Shaama

Publication type:

Article

The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300933

By:

Lalith, Nithin;
Singh, Aayush R.;
Gauthier, Joseph A.

Publication type:

Article

Photophysics of Benzoxazole and Dicyano Functionalised Diketopyrrolopyrrole Derivatives: Insights into Ultrafast Processes and the Triplet State.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300872

By:

Panthi, Yadu Ram;
Thottappali, Muhammed Arshad;
Horáková, Petra;
Kubáč, Lubomír;
Pfleger, Jiří;
Menšík, Miroslav;
Khan, Tuhin

Publication type:

Article

MB16− (M=Sc, Y, La): Perfect Bowl‐Like Boron Clusters.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300816

By:

Dong, Xue;
Miao, Lin‐Hong;
Liu, Yu‐Qian;
Cui, Li‐Juan;
Feng, Wei;
Cui, Zhong‐Hua

Publication type:

Article

Evolution of Excited‐State Behaviors of Gold Complexes, Nanoclusters and Nanoparticles.

Published in:

ChemPhysChem, 2024, v. 25, n. 13, p. 1, doi. 10.1002/cphc.202300687

By:

Zeng, Linlin;
Zhou, Meng;
Jin, Rongchao

Publication type:

Article

Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 13

Cover Feature: CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme (ChemPhysChem 13/2024).

Front Cover: Phase Transition in Silicon from Machine Learning Informed Metadynamics (ChemPhysChem 13/2024).

CO Oxidation Mechanism of Silver‐Substituted Mo/Cu CO‐Dehydrogenase – Analogies and Differences to the Native Enzyme.

Blue‐ and Red‐Shifting C−H⋯O Hydrogen Bonds of Cyclic Ethers with Haloforms: Effect of Ring‐Size and Consistency with Bent's Rule.

Metal Organic Frameworks as Polysulfide Reaction Modulators for Lithium Sulfur Batteries: Advances and Perspectives.

Photoionization and Dissociative Photoionization of Acetaldehyde in the 10.0–13.7 eV Range by Synchrotron Photoelectron Photoion Coincidence Spectroscopy.

Computational Modeling: Up‐to‐Date Approaches and Cutting‐Edge Applications from Clusters, Nanostructures to Bulk Systems.

Hydrogen Peroxide‐Induced Overoxidation of Fe−N−C Catalysts: Implications for ORR Activity.

Effect of Thermo‐ and pH‐Sensitive Block Copolymer Structure and Composition on the Synthesis and Stabilization of Gold Nanoparticles.

Editorial – "Special Collection: 30 Years of PIP" – Physicochemistry of Interfacial Phenomena.

Flexible Full‐Inorganic Ultrathin Films with Stable Circularly Polarized Luminescence Covering the Visible to Near‐Infrared Region.

Beyond Electrons: Correlation and Self‐Energy in Multicomponent Density Functional Theory.

Elastin‐Like Peptide as a Model for Disordered Proteins: Diffusion Behaviour in Self‐Crowding Conditions.

Spectral Phasor Applied to Spectrally‐Resolved Single Molecule Localization Microscopy.

A Density Functional Theory Analysis of Electrochemical Oxidation of Methane to Alcohol over High‐Entropy Oxide (CoCrFeMnNi)<sub>3</sub>O<sub>4</sub> Catalysts.

Phase Transition in Silicon from Machine Learning Informed Metadynamics.

Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data.

Comprehensive Study of Ti and Ta Co‐Doping in Ni‐Rich Cathode Material LiNi<sub>0.8</sub>Mn<sub>0.1</sub>Co<sub>0.1</sub>O<sub>2</sub> Towards Improving the Electrochemical Performance.

Interpretable Machine Learning Models for Practical Antimonate Electrocatalyst Performance.

Chemical Bonding, 10Dq Parameter and Superexchange in the Model Compound KNiF<sub>3</sub>.

Electrochemical Nitrogen Reduction to Ammonia at Ambient Condition on the (111) Facets of Transition Metal Carbonitrides.

Atomic Scale Insights into Reversible Oxygen Storage in Vanadium Oxide Thin Films.

The Hydrogen Evolution Activity of BaZrS<sub>3</sub>, BaTiS<sub>3</sub>, and BaVS<sub>3</sub> Chalcogenide Perovskites.

The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models.

Photophysics of Benzoxazole and Dicyano Functionalised Diketopyrrolopyrrole Derivatives: Insights into Ultrafast Processes and the Triplet State.

MB<sub>16</sub><sup>−</sup> (M=Sc, Y, La): Perfect Bowl‐Like Boron Clusters.

Evolution of Excited‐State Behaviors of Gold Complexes, Nanoclusters and Nanoparticles.