Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 16

Results: 31

Cover Feature: Tuning Electronic and Structural Properties of Lead‐Free Metal Halide Perovskites: A Comparative Study of 2D Ruddlesden‐Popper and 3D Compositions (ChemPhysChem 16/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202481603

By:

Dalmedico, J. F.;
Silveira, D. N.;
O. de Araujo, L.;
Wenzel, W.;
Rêgo, C. R. C.;
Dias, A. C.;
Guedes‐Sobrinho, D.;
Piotrowski, Maurício J.

Publication type:

Article

Cover Feature: Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene (ChemPhysChem 16/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202481602

By:

Cerezo, Javier;
Gierschner, Johannes;
Santoro, Fabrizio;
Prampolini, Giacomo

Publication type:

Article

Front Cover: Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry (ChemPhysChem 16/2024).

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202481601

By:

Gao, Ruchao;
Beladi‐Mousavi, Mohsen;
Salinas, Gerardo;
Zhang, Lin;
Kuhn, Alexander

Publication type:

Article

First‐Principles Insights into the Mechanism of CO2 Hydrogenation Reactions by Fe‐PNP Pincer Complex.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400425

By:

Ghoshal, Sourav;
Sarkar, Pranab

Publication type:

Article

Gas‐Responsive and Gas‐Releasing Polymer Assemblies.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400413

By:

Yang, Cuiqin;
Mu, Gui‐Fang;
Liang, Xin;
Yan, Qiang

Publication type:

Article

The Heavy Atom Structure, "cis effect" on Methyl Internal Rotation, and 14N Nuclear Quadrupole Coupling of 1‐Cyanopropene from Quantum Chemical and Microwave Spectroscopic Analysis.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400387

By:

Nguyen, Truong Anh;
Kleiner, Isabelle;
Schwell, Martin;
Nguyen, Ha Vinh Lam

Publication type:

Article

Stable, while Still Active? A DFT Study of Cu, Ag, and Au Single Atoms at the C3N4/TiO2 Interface.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400378

By:

Di Liberto, Giovanni;
Tosoni, Sergio

Publication type:

Article

Theoretical Prediction and Comprehensive Characterization of an All‐Nitrogenatomic Ring, Cyclo[18]Nitrogen (N18).

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400377

By:

Lu, Tian

Publication type:

Article

Open Circuit Interaction Between Ethanol or 2‐Propanol and Oxidized Platinum Surfaces.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400359

By:

Ragassi, Gianluca;
Sitta, Elton;
Pan, Changwei;
Gao, Qingyu;
Varela, Hamilton

Publication type:

Article

Self‐Assembly of the Porphyrin Monomer on the Surface of Fe/Graphene Material: A Novel Sensing Material for the Detection of Chloramphenicol Antibiotic in Aqueous solution.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400355

By:

Nguyen, Quynh Xuan Thi;
Manh Khong, Hung;
Duc La, Duong;
Dang, Trung‐Dung

Publication type:

Article

Reversible Capture Mechanism of CO2 as a Zn(II)‐Methylcarbonate.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400324

By:

Murillo, Fernando;
Zarate, Ximena;
Fernández‐Herrera, María A.;
Merino, Gabriel

Publication type:

Article

White Light Emissive Eu(III) Complexes through Ligand Engineering and their Applications in Cool Near Ultraviolet White Light Emitting Diodes and Thermometer.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400320

By:

Maredi, Swetha;
Mund, Sibani;
Nayak, Sandhya Rani;
Devineni, Samatha;
Subrahmanyam, C.;
Vaidyanathan, Sivakumar

Publication type:

Article

Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400307

By:

Cerezo, Javier;
Gierschner, Johannes;
Santoro, Fabrizio;
Prampolini, Giacomo

Publication type:

Article

Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400257

By:

Gao, Ruchao;
Beladi‐Mousavi, Mohsen;
Salinas, Gerardo;
Zhang, Lin;
Kuhn, Alexander

Publication type:

Article

An Eutectic Mixture in the Tetrabutylammonium Bromide‐Octanol System: Macroscopic and Microscopic Points of View.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400219

By:

Di Muzio, Simone;
Trequattrini, Francesco;
Palumbo, Oriele;
Roy, Pascale;
Brubach, Jean‐Blaise;
Paolone, Annalisa

Publication type:

Article

Standard Response Calculation of Electric Dipole Polarizability and Specific Optical Rotation Power Densities.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400203

By:

Summa, Francesco F.;
Monaco, Guglielmo;
Zanasi, Riccardo

Publication type:

Article

In situ Low‐Energy Electron Microscopy of Chemical Waves on a Composite V‐oxide/Rh(110) Surface.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400186

By:

von Boehn, Bernhard;
Krisponeit, Jon‐Olaf;
Falta, Jens;
Imbihl, Ronald

Publication type:

Article

Predicting Emission Spectra of Heteroleptic Iridium Complexes Using Artificial Chemical Intelligence.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400176

By:

Pal, Yudhajit;
Fiala, Tahoe A.;
Swords, Wesley B.;
Yoon, Tehshik P.;
Schmidt, J. R.

Publication type:

Article

Mechanical Interatomic Bond Formation in Ethanol and Methanol–Ethanol Mixture by Laser‐Driven Shock Waves.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400164

By:

Ishikawa, Wakako;
Sato, Shunichi

Publication type:

Article

Determining the Factors Accounting for Reaction Selectivity: A Relative Energy Gradient – Interacting Quantum Atoms and Natural Bonding Orbitals Study.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400163

By:

Cador, Aël;
Morell, Christophe;
Tognetti, Vincent;
Joubert, Laurent;
Popelier, Paul L. A.

Publication type:

Article

Voltage‐Gated Ion Channels: Structure, Pharmacology and Photopharmacology.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400162

By:

Palmisano, Vito F.;
Anguita‐Ortiz, Nuria;
Faraji, Shirin;
Nogueira, Juan J.

Publication type:

Article

Dimerization of Fe(III) Ion in an Aqueous Medium: Mechanistic Modelling and Effects of Ligands.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400144

By:

De, Sharmistha;
Das, Bidisa

Publication type:

Article

Catalysts with Trimetallic Sites on Graphene‐like C2N for Electrocatalytic Nitrogen Reduction Reaction: A Theoretical Investigation.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400143

By:

He, Han‐Bin;
Ding, Xun‐Lei;
Wang, Ya‐Ya;
Chen, Yan;
Wang, Meng‐Meng;
Chen, Jiao‐Jiao;
Li, Wei

Publication type:

Article

Tuning Electronic and Structural Properties of Lead‐Free Metal Halide Perovskites: A Comparative Study of 2D Ruddlesden‐Popper and 3D Compositions.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400118

By:

Dalmedico, J. F.;
Silveira, D. N.;
O. de Araujo, L.;
Wenzel, W.;
Rêgo, C. R. C.;
Dias, A. C.;
Guedes‐Sobrinho, D.;
Piotrowski, Maurício J.

Publication type:

Article

Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse‐Grained Models.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400114

By:

Nkepsu Mbitou, R. L.;
Goujon, F.;
Dequidt, A.;
Latour, B.;
Devémy, J.;
Martzel, N.;
Hauret, P.;
Malfreyt, P.

Publication type:

Article

When Tautomers Matter: UV‐Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400107

By:

Gómez, Sara;
Cappelli, Chiara

Publication type:

Article

Structural Order in the Hydration Shell of Nonpolar Groups versus that in Bulk Water.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400102

By:

Graziano, Giuseppe

Publication type:

Article

Experimental and Theoretical Predictors for Redox Potentials of Bispyridinylidene Electron Donors.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202400092

By:

Khor, Chun Keat;
Calhoun, Larry A.;
Neville, John J.;
Dyker, C. Adam

Publication type:

Article

Exploring the Scaling Factors for Infrared Modes of PANHs – A Case Study on Cationic 3‐Azafluoranthene⋅+ and Protonated 3‐Azafluoranthene**.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202300915

By:

Schleier, Domenik;
Kamer, Jerry;
Martens, Jonathan;
Berden, Giel;
Oomens, Jos;
Bouwman, Jordy

Publication type:

Article

Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202300850

By:

Chowdhury, Chandra

Publication type:

Article

In‐Situ Lithium Analysis In MgLi Alloys Using Laser‐Induced Breakdown Spectroscopy with a Compact Chamber.

Published in:

ChemPhysChem, 2024, v. 25, n. 16, p. 1, doi. 10.1002/cphc.202300843

By:

Tanra, Ivan;
Pardede, Marincan;
Karnadi, Indra;
Hedwig, Rinda;
Suliyanti, Maria Margaretha;
Lie, Zener Sukra;
Ramli, Muliadi;
Abdulmadjid, Syahrun Nur;
Khumaeni, Ali;
Kurniawan, Davy Putra;
Lie, Tjung Jie;
Kurniawan, Koo Hendrik;
Kagawa, Kiichiro

Publication type:

Article

Works matching IS 14394235 AND DT 2024 AND VI 25 AND IP 16

Cover Feature: Tuning Electronic and Structural Properties of Lead‐Free Metal Halide Perovskites: A Comparative Study of 2D Ruddlesden‐Popper and 3D Compositions (ChemPhysChem 16/2024).

Cover Feature: Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene (ChemPhysChem 16/2024).

Front Cover: Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry (ChemPhysChem 16/2024).

First‐Principles Insights into the Mechanism of CO<sub>2</sub> Hydrogenation Reactions by Fe‐PNP Pincer Complex.

Gas‐Responsive and Gas‐Releasing Polymer Assemblies.

The Heavy Atom Structure, "cis effect" on Methyl Internal Rotation, and <sup>14</sup>N Nuclear Quadrupole Coupling of 1‐Cyanopropene from Quantum Chemical and Microwave Spectroscopic Analysis.

Stable, while Still Active? A DFT Study of Cu, Ag, and Au Single Atoms at the C<sub>3</sub>N<sub>4</sub>/TiO<sub>2</sub> Interface.

Theoretical Prediction and Comprehensive Characterization of an All‐Nitrogenatomic Ring, Cyclo[18]Nitrogen (N<sub>18</sub>).

Open Circuit Interaction Between Ethanol or 2‐Propanol and Oxidized Platinum Surfaces.

Self‐Assembly of the Porphyrin Monomer on the Surface of Fe/Graphene Material: A Novel Sensing Material for the Detection of Chloramphenicol Antibiotic in Aqueous solution.

Reversible Capture Mechanism of CO<sub>2</sub> as a Zn(II)‐Methylcarbonate.

White Light Emissive Eu(III) Complexes through Ligand Engineering and their Applications in Cool Near Ultraviolet White Light Emitting Diodes and Thermometer.

Explicit Modelling of Spectral Bandshapes by a Mixed Quantum‐Classical Approach: Solvent Order and Temperature Effects in the Optical Spectra of Distyrylbenzene.

Synthesis of Multi‐Functional Graphene Monolayers via Bipolar Electrochemistry.

An Eutectic Mixture in the Tetrabutylammonium Bromide‐Octanol System: Macroscopic and Microscopic Points of View.

Standard Response Calculation of Electric Dipole Polarizability and Specific Optical Rotation Power Densities.

In situ Low‐Energy Electron Microscopy of Chemical Waves on a Composite V‐oxide/Rh(110) Surface.

Predicting Emission Spectra of Heteroleptic Iridium Complexes Using Artificial Chemical Intelligence.

Mechanical Interatomic Bond Formation in Ethanol and Methanol–Ethanol Mixture by Laser‐Driven Shock Waves.

Determining the Factors Accounting for Reaction Selectivity: A Relative Energy Gradient – Interacting Quantum Atoms and Natural Bonding Orbitals Study.

Voltage‐Gated Ion Channels: Structure, Pharmacology and Photopharmacology.

Dimerization of Fe(III) Ion in an Aqueous Medium: Mechanistic Modelling and Effects of Ligands.

Catalysts with Trimetallic Sites on Graphene‐like C<sub>2</sub>N for Electrocatalytic Nitrogen Reduction Reaction: A Theoretical Investigation.

Tuning Electronic and Structural Properties of Lead‐Free Metal Halide Perovskites: A Comparative Study of 2D Ruddlesden‐Popper and 3D Compositions.

Autohesion Mechanisms at Interfaces Between Random Copolymer Melts: Mesoscopic Simulations with Realistic Coarse‐Grained Models.

When Tautomers Matter: UV‐Vis Absorption Spectra of Hypoxanthine in Aqueous Solution from Fully Atomistic Simulations.

Structural Order in the Hydration Shell of Nonpolar Groups versus that in Bulk Water.

Experimental and Theoretical Predictors for Redox Potentials of Bispyridinylidene Electron Donors.

Exploring the Scaling Factors for Infrared Modes of PANHs – A Case Study on Cationic 3‐Azafluoranthene⋅<sup>+</sup> and Protonated 3‐Azafluoranthene**.

Bayesian Optimization for Efficient Prediction of Gas Uptake in Nanoporous Materials.

In‐Situ Lithium Analysis In MgLi Alloys Using Laser‐Induced Breakdown Spectroscopy with a Compact Chamber.