Works matching IS 14394235 AND DT 2023 AND VI 24 AND IP 24

Results: 27

Cover Feature: Partial Methane Oxidation to Methanol on Ru‐Porphyrins – on the Role of Non‐Innocent Ligands and Spin Crossover (ChemPhysChem 24/2023).

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300871

By:

Kizior, Beata;
Jezierska, Aneta;
Szyja, Bartłomiej M.

Publication type:

Article

Cover Feature: Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds? (ChemPhysChem 24/2023).

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300585

By:

Burguera, Sergi;
Bauzá, Antonio;
Frontera, Antonio

Publication type:

Article

Front Cover: Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases? (ChemPhysChem 24/2023).

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300869

By:

Bertsch, Esteban;
Suñer, Sebastián;
Pinheiro, Silvana;
Zamora, William J.

Publication type:

Article

Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300548

By:

Bertsch, Esteban;
Suñer, Sebastián;
Pinheiro, Silvana;
Zamora, William J.

Publication type:

Article

The Exciton Model for Molecular Materials: Past, Present and Future?

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300666

By:

Meskers, Stefan C. J.

Publication type:

Article

Catalyst Engineering for the Selective Reduction of CO2 to CH4: A First‐Principles Study on X‐MOF‐74 (X=Mg, Mn, Fe, Co, Ni, Cu, Zn).

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300645

By:

McCarver, Gavin A.;
Yildirim, Taner;
Zhou, Wei

Publication type:

Article

Catalytic Reaction Mechanism of Bacterial GH92 α‐1,2‐Mannosidase: A QM/MM Metadynamics Study.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300628

By:

Sagiroglugil, Mert;
Yasar, Fatih

Publication type:

Article

Understanding the Buoy Effect of Surface‐Enriched Pt Complexes in Ionic Liquids: A Combined ARXPS and Pendant Drop Study.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300612

By:

Hemmeter, Daniel;
Paap, Ulrike;
Wellnhofer, Nicolas;
Gezmis, Afra;
Kremitzl, Daniel;
Wasserscheid, Peter;
Steinrück, Hans‐Peter;
Maier, Florian

Publication type:

Article

Methane Activation by [AlFeO3]+: the Hidden Spin Selectivity.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300603

By:

Yan, Linghui;
Yuan, BoWei;
Qian, Chao;
Zhou, Shaodong

Publication type:

Article

Diffusion‐Ordered Spectroscopy (DOSY) as a Powerful NMR Method to Investigate Molecular Mobilities and Intermolecular Interactions in Complex Oil Mixtures.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300587

By:

Yuan, Meng;
Xu, Wenlong;
Yang, Ying;
Li, Suying;
Yang, Haiyan;
Gao, Jun;
Jiang, Heqing;
Yang, Menglong

Publication type:

Article

Hg(II)⋅d8[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds?

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300585

By:

Burguera, Sergi;
Bauzá, Antonio;
Frontera, Antonio

Publication type:

Article

Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300575

By:

Noble, Joyanna Elsa;
Ebenezer, Cheriyan;
Solomon, Rajadurai Vijay

Publication type:

Article

Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300548

By:

Bertsch, Esteban;
Suñer, Sebastián;
Pinheiro, Silvana;
Zamora, William J.

Publication type:

Article

Aza‐Michael Addition in Explicit Solvent: A Relative Energy Gradient–Interacting Quantum Atoms Study.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300529

By:

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

Publication type:

Article

Adsorption Mechanism of Benzene Derivatives by Pagoda[n]arenes.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300527

By:

Xi, Ziqing;
Yang, Zhenshan;
Zhang, Xuecheng;
Yuan, He;
Wang, Wanting;
He, Maoxia;
Xie, Ju

Publication type:

Article

Partial Methane Oxidation to Methanol on Ru‐Porphyrins – on the Role of Non‐Innocent Ligands and Spin Crossover.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300499

By:

Kizior, Beata;
Jezierska, Aneta;
Szyja, Bartłomiej M.

Publication type:

Article

The Challenge of ab Initio Calculations in Small Neon Clusters.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300485

By:

Ema, Ignacio;
Ramírez, Guillermo;
López, Rafael;
San Fabián, Jesús;
García de la Vega, José M.

Publication type:

Article

The Influence of Large Pendent Groups on Chain Anisotropy and Electrical Energy Loss of Polyimides at High Frequency through All‐Atomic Molecular Simulation.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300479

By:

Lin, Tzu‐Jen

Publication type:

Article

Kinetics of the Temperature‐Dependent eaq− and ⋅OH Radical Reactions with Cr(III) Ions in Aqueous Solutions.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300465

By:

Conrad, Jacy K.;
Lisouskaya, Aliaksandra;
Mezyk, Stephen P.;
Bartels, David M.

Publication type:

Article

Ag‐Doped Free‐Standing 2D TiO2 Sheets: Electronic, Optical, Magnetic, and Self‐Healing Behaviour.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300447

By:

Pradhan, Itishree;
Mahapatra, Anwesha;
Bandyopadhyay, Arkamita;
Nayak, Alpana;
Kumar, Prashant

Publication type:

Article

Sequence‐Specific Relay Recognition of Multiple Anions: An Interplay between Proton Donors and Acceptors.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300434

By:

Fernandes, Rikitha S;
Paul, Suvendu;
Dey, Nilanjan

Publication type:

Article

Shock‐Induced Microstructural Evolution, Phase Transformation, Sintering of Al‐Ni Dissimilar Nanoparticles: A Molecular Dynamics Study.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300419

By:

Jiang, Jun;
Sun, Weifu;
Luo, Ning

Publication type:

Article

Photoluminescence Properties of Graphene Oxide in Non‐Aqueous Solvents.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300373

By:

Pandit, Souvik;
Bhattacharjee, Sanyukta;
Seth, Debabrata

Publication type:

Article

The Effect of Pulling and Twisting Forces on Chameleon Sequence Peptides.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300351

By:

Meadows, James;
Röder, Konstantin

Publication type:

Article

Relationship Between Stress Modulated Metallicity and Plasmon in Graphene Nanoribbons.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300348

By:

Zhang, Na;
Yang, Zhiyuan;
Zhang, Zhongyuan;
Wang, Jingang

Publication type:

Article

Estimation of the Thermophysical Properties of Pentaalkylguanidinium‐Based Magnetic Ionic Liquids with Unusual Thermal Expansion Coefficient.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300315

By:

Dai, Xuezhi;
Qiang, Xiaolian

Publication type:

Article

NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging.

Published in:

ChemPhysChem, 2023, v. 24, n. 24, p. 1, doi. 10.1002/cphc.202300217

By:

Porto, Michele;
Angelico, Ruggero;
Calandra, Pietro;
Loise, Valeria;
Abe, Abraham A.;
Rossi, Cesare Oliviero;
Caputo, Paolino

Publication type:

Article

Works matching IS 14394235 AND DT 2023 AND VI 24 AND IP 24

Cover Feature: Partial Methane Oxidation to Methanol on Ru‐Porphyrins – on the Role of Non‐Innocent Ligands and Spin Crossover (ChemPhysChem 24/2023).

Cover Feature: Hg(II)⋅d<sup>8</sup>[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds? (ChemPhysChem 24/2023).

Front Cover: Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases? (ChemPhysChem 24/2023).

Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

The Exciton Model for Molecular Materials: Past, Present and Future?

Catalyst Engineering for the Selective Reduction of CO<sub>2</sub> to CH<sub>4</sub>: A First‐Principles Study on X‐MOF‐74 (X=Mg, Mn, Fe, Co, Ni, Cu, Zn).

Catalytic Reaction Mechanism of Bacterial GH92 α‐1,2‐Mannosidase: A QM/MM Metadynamics Study.

Understanding the Buoy Effect of Surface‐Enriched Pt Complexes in Ionic Liquids: A Combined ARXPS and Pendant Drop Study.

Methane Activation by [AlFeO<sub>3</sub>]<sup>+</sup>: the Hidden Spin Selectivity.

Diffusion‐Ordered Spectroscopy (DOSY) as a Powerful NMR Method to Investigate Molecular Mobilities and Intermolecular Interactions in Complex Oil Mixtures.

Hg(II)⋅d<sup>8</sup>[M] Interactions: Are they Metallophilic Interactions or Spodium Bonds?

Trianglimine‐Mediated Selective Sieving of Cis Isomer from the Mixture of Dihaloethenes: A Combined Molecular Dynamics and DFT Investigation.

Critical Assessment of pH‐Dependent Lipophilicity Profiles of Small Molecules: Which One Should We Use and In Which Cases?

Aza‐Michael Addition in Explicit Solvent: A Relative Energy Gradient–Interacting Quantum Atoms Study.

Adsorption Mechanism of Benzene Derivatives by Pagoda[n]arenes.

Partial Methane Oxidation to Methanol on Ru‐Porphyrins – on the Role of Non‐Innocent Ligands and Spin Crossover.

The Challenge of ab Initio Calculations in Small Neon Clusters.

The Influence of Large Pendent Groups on Chain Anisotropy and Electrical Energy Loss of Polyimides at High Frequency through All‐Atomic Molecular Simulation.

Kinetics of the Temperature‐Dependent e<sub>aq</sub><sup>−</sup> and ⋅OH Radical Reactions with Cr(III) Ions in Aqueous Solutions.

Ag‐Doped Free‐Standing 2D TiO<sub>2</sub> Sheets: Electronic, Optical, Magnetic, and Self‐Healing Behaviour.

Sequence‐Specific Relay Recognition of Multiple Anions: An Interplay between Proton Donors and Acceptors.

Shock‐Induced Microstructural Evolution, Phase Transformation, Sintering of Al‐Ni Dissimilar Nanoparticles: A Molecular Dynamics Study.

Photoluminescence Properties of Graphene Oxide in Non‐Aqueous Solvents.

The Effect of Pulling and Twisting Forces on Chameleon Sequence Peptides.

Relationship Between Stress Modulated Metallicity and Plasmon in Graphene Nanoribbons.

Estimation of the Thermophysical Properties of Pentaalkylguanidinium‐Based Magnetic Ionic Liquids with Unusual Thermal Expansion Coefficient.

NMR Self‐Diffusion and Transverse Relaxation Time in Bitumen: The Effect of Aging.