Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 18

Results: 29

Cover Feature: Color Polymorphism and Room Temperature Phosphorescence of 4‐Bromo‐2,7‐Di‐Tert‐Butyl‐ 9‐Methoxypyrene (ChemPhysChem 18/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202481804

By:

Morawski, Olaf W.;
Karpiuk, Jerzy;
Grzybowski, Marek

Publication type:

Article

Cover Feature: Halogen Bonding to the π‐Systems of Polycyclic Aromatics (ChemPhysChem 18/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202481803

By:

Amonov, Akhtam;
Scheiner, Steve

Publication type:

Article

Cover Feature: Kinetic Monte Carlo Simulations of Low‐Temperature NH3‐SCR over Cu‐Exchanged Chabazite (ChemPhysChem 18/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202481802

By:

Feng, Yingxin;
Grönbeck, Henrik

Publication type:

Article

Front Cover: Effects of Clinical Mutations in the Second Coordination Sphere and Remote Regions on the Catalytic Mechanism of Non‐Heme Fe(II)/2‐Oxoglutarate‐Dependent Aspartyl Hydroxylase AspH (ChemPhysChem 18/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202481801

By:

Krishnan, Anandhu;
Waheed, Sodiq O.;
Melayikandy, Sreerag;
LaRouche, Ciara;
Paik, Meredith;
Schofield, Christopher J.;
Karabencheva‐Christova, Tatyana G.

Publication type:

Article

Quantification of the Donor‐Acceptor Character of Ligands by the Effective Fragment Orbitals.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400582

By:

Comas‐Vilà, Gerard;
Salvador, Pedro

Publication type:

Article

Kinetic Monte Carlo Simulations of Low‐Temperature NH3‐SCR over Cu‐Exchanged Chabazite.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400558

By:

Feng, Yingxin;
Grönbeck, Henrik

Publication type:

Article

Janus Cr2BN Monolayer with Ferroelectricity and Room‐Temperature Ferromagnetism.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400538

By:

Yan, Xu;
Wang, Junyuan;
Liu, Yong;
Yang, Guochun

Publication type:

Article

Halogen Bonding to the π‐Systems of Polycyclic Aromatics.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400482

By:

Amonov, Akhtam;
Scheiner, Steve

Publication type:

Article

Color Polymorphism and Room Temperature Phosphorescence of 4‐Bromo‐2,7‐Di‐Tert‐Butyl‐ 9‐Methoxypyrene.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400457

By:

Morawski, Olaf W.;
Karpiuk, Jerzy;
Grzybowski, Marek

Publication type:

Article

Phase Behaviors and Photoresponsive Thin Films of Syndiotactic Side‐Chain Liquid Crystalline Polymers with High Densely Substituted Azobenzene Mesogens.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400421

By:

Li, Xiao;
Zhao, Weiguang;
Jin, Ye;
Huang, Jianjia;
Chen, Dongzhong

Publication type:

Article

Atomic Insight into the Enzymatic Selectivity of Acetyltransferase for Endogenous Polyamines.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400412

By:

Guo, Baolin;
Xue, Qian;
Zhang, Zhiyang;
Zhai, Jihang;
Wang, Chaojie;
Zhao, Yuan;
Zhang, Jie

Publication type:

Article

The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400410

By:

Chipanina, Nina N.;
Shainyan, Bagrat A.;
Oznobikhina, Larisa P.;
Lazareva, Nataliya F.

Publication type:

Article

Six‐Coordinated CoII Single‐Molecule Magnets: Synthetic Strategy, Structure and Magnetic Properties.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400396

By:

Wang, Mengmeng;
Han, Zongsu;
Garcia, Yann;
Cheng, Peng

Publication type:

Article

Strain in Hybrid Organic‐Inorganic Metal Halide Perovskites Microstructures by Numerical Simulations.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400394

By:

Manganelli, Costanza Lucia;
Martín‐García, Beatriz;
Spirito, Davide

Publication type:

Article

Deuterium Isotope Effect in Single Molecule Photophysics and Photochemistry of Hypericin.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400374

By:

Wang, Liangxuan;
Liu, Quan;
Buchwald, Andrea;
Wackenhut, Frank;
Brecht, Marc;
Gierschner, Johannes;
Meixner, Alfred J.

Publication type:

Article

On the Unusual Global Aromaticity of Two Cyclopenta‐Ring‐Fused Oligo(m‐Phenylenes).

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400342

By:

Summa, Francesco F.;
Zanasi, Riccardo;
Đorđević, Slađana;
Radenković, Slavko;
Monaco, Guglielmo

Publication type:

Article

Electrochemical Stability of MXenes in Water Based on Constant Potential AIMD Simulations.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400325

By:

Wan, Pifang;
Chen, Yuping;
Tang, Qing

Publication type:

Article

Effects of Clinical Mutations in the Second Coordination Sphere and Remote Regions on the Catalytic Mechanism of Non‐Heme Fe(II)/2‐Oxoglutarate‐Dependent Aspartyl Hydroxylase AspH.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400303

By:

Krishnan, Anandhu;
Waheed, Sodiq O.;
Melayikandy, Sreerag;
LaRouche, Ciara;
Paik, Meredith;
Schofield, Christopher J.;
Karabencheva‐Christova, Tatyana G.

Publication type:

Article

Taming XeO3 with Aza‐Crowns: Computational Studies into σ‐Hole Mediated Host‐Guest Interactions.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400302

By:

Dash, Soumya Ranjan;
Vanka, Kumar

Publication type:

Article

Synthesis and Photo/Radiation Chemical Characterization of a New Redox‐Stable Pyridine‐Triazole Ligand.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400273

By:

Al‐Romema, Abdulaziz A.;
Plass, Fabian;
Nizovtsev, Alexey V.;
Kahnt, Axel;
Tsogoeva, Svetlana B.

Publication type:

Article

Surface Termination (−O, −F or −OH) and Metal Doping on the HER Activity of Mo2CTx MXene.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400255

By:

Li, Huidong;
Chen, Yuping;
Tang, Qing

Publication type:

Article

Theoretical Investigation on the Reversible Photoswitch Mechanism of Benzylidene–Oxazolone System.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400250

By:

Geng, Xuehui;
Wang, Jiangyue;
Liu, Yuxuan;
Yan, Wenhui;
Xu, Zhijie;
Chen, Junsheng;
Zhao, Li

Publication type:

Article

Intermediate Intercluster Bond Orders. Electronic Communication in Au38(SR)24 Superatomic Molecules.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400183

By:

Rodríguez‐Kessler, Peter L.;
Muñoz‐Castro, Alvaro

Publication type:

Article

Time‐Dependent Extension of Grimme's Continuous Chirality Measure for Electronic Chirality Flips in Femto‐ and Attosecond Time Domains.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400132

By:

Guo, Yanrong;
Haase, Dietrich;
Manz, Jörn;
Wang, Huihui;
Yang, Yonggang

Publication type:

Article

Electronic Vector Potential from the Exact Factorization of a Complex Wavefunction.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400127

By:

Giarrusso, Sara;
Gori‐Giorgi, Paola;
Agostini, Federica

Publication type:

Article

A Set of New Promising Solid Chalcogenides for Na‐Ion Batteries: Yield from the Crystal Chemical, Monte‐Carlo and Quantum‐Chemical Calculations.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202400067

By:

Morkhova, Yelizaveta A.;
Antonyuk, Alexander V.;
Kabanov, Artem A.;
Blatov, Vladislav A.

Publication type:

Article

Effect of External Electric Field on Nitrogen Activation on a Trimetal Cluster.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202300961

By:

Zhang, Song‐Yang;
Ding, Xun‐Lei;
Qu, Sheng‐Ze

Publication type:

Article

A Comparative Study of Electrochemical Reduction of Levulinic Acid on Various Electrodes in Organic Solvents.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202300900

By:

Burmakina, Galina V.;
Zimonin, Dmitry V.;
Verpekin, Victor V.;
Sychev, Valentin V.;
Rubaylo, Anatoly I.

Publication type:

Article

Influence of Water Radiolysis on the Passive Properties of 316L‐Stainless Steel.

Published in:

ChemPhysChem, 2024, v. 25, n. 18, p. 1, doi. 10.1002/cphc.202300785

By:

Bérerd, Nicolas;
Moncoffre, Nathalie;
Martinet, Philippe;
Marcelin, Sabrina;
Baux, Dominique;
Normand, Bernard

Publication type:

Article

Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 18

Cover Feature: Color Polymorphism and Room Temperature Phosphorescence of 4‐Bromo‐2,7‐Di‐Tert‐Butyl‐ 9‐Methoxypyrene (ChemPhysChem 18/2024).

Cover Feature: Halogen Bonding to the π‐Systems of Polycyclic Aromatics (ChemPhysChem 18/2024).

Cover Feature: Kinetic Monte Carlo Simulations of Low‐Temperature NH<sub>3</sub>‐SCR over Cu‐Exchanged Chabazite (ChemPhysChem 18/2024).

Front Cover: Effects of Clinical Mutations in the Second Coordination Sphere and Remote Regions on the Catalytic Mechanism of Non‐Heme Fe(II)/2‐Oxoglutarate‐Dependent Aspartyl Hydroxylase AspH (ChemPhysChem 18/2024).

Quantification of the Donor‐Acceptor Character of Ligands by the Effective Fragment Orbitals.

Kinetic Monte Carlo Simulations of Low‐Temperature NH<sub>3</sub>‐SCR over Cu‐Exchanged Chabazite.

Janus Cr<sub>2</sub>BN Monolayer with Ferroelectricity and Room‐Temperature Ferromagnetism.

Halogen Bonding to the π‐Systems of Polycyclic Aromatics.

Color Polymorphism and Room Temperature Phosphorescence of 4‐Bromo‐2,7‐Di‐Tert‐Butyl‐ 9‐Methoxypyrene.

Phase Behaviors and Photoresponsive Thin Films of Syndiotactic Side‐Chain Liquid Crystalline Polymers with High Densely Substituted Azobenzene Mesogens.

Atomic Insight into the Enzymatic Selectivity of Acetyltransferase for Endogenous Polyamines.

The Rivalry between Intramolecular Tetrel Bonds and Intermolecular Hydrogen Bonds in (O−Si) Chelates of N‐Silylmethylamides and ‐ureas. A Theoretical Study.

Six‐Coordinated Co<sup>II</sup> Single‐Molecule Magnets: Synthetic Strategy, Structure and Magnetic Properties.

Strain in Hybrid Organic‐Inorganic Metal Halide Perovskites Microstructures by Numerical Simulations.

Deuterium Isotope Effect in Single Molecule Photophysics and Photochemistry of Hypericin.

On the Unusual Global Aromaticity of Two Cyclopenta‐Ring‐Fused Oligo(m‐Phenylenes).

Electrochemical Stability of MXenes in Water Based on Constant Potential AIMD Simulations.

Effects of Clinical Mutations in the Second Coordination Sphere and Remote Regions on the Catalytic Mechanism of Non‐Heme Fe(II)/2‐Oxoglutarate‐Dependent Aspartyl Hydroxylase AspH.

Taming XeO<sub>3</sub> with Aza‐Crowns: Computational Studies into σ‐Hole Mediated Host‐Guest Interactions.

Synthesis and Photo/Radiation Chemical Characterization of a New Redox‐Stable Pyridine‐Triazole Ligand.

Surface Termination (−O, −F or −OH) and Metal Doping on the HER Activity of Mo<sub>2</sub>CT<sub>x</sub> MXene.

Theoretical Investigation on the Reversible Photoswitch Mechanism of Benzylidene–Oxazolone System.

Intermediate Intercluster Bond Orders. Electronic Communication in Au<sub>38</sub>(SR)<sub>24</sub> Superatomic Molecules.

Time‐Dependent Extension of Grimme's Continuous Chirality Measure for Electronic Chirality Flips in Femto‐ and Attosecond Time Domains.

Electronic Vector Potential from the Exact Factorization of a Complex Wavefunction.

A Set of New Promising Solid Chalcogenides for Na‐Ion Batteries: Yield from the Crystal Chemical, Monte‐Carlo and Quantum‐Chemical Calculations.

Effect of External Electric Field on Nitrogen Activation on a Trimetal Cluster.

A Comparative Study of Electrochemical Reduction of Levulinic Acid on Various Electrodes in Organic Solvents.

Influence of Water Radiolysis on the Passive Properties of 316L‐Stainless Steel.