Works matching IS 14394235 AND DT 2022 AND VI 23 AND IP 24

Results: 25

Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200859

By:

McHugh, Christian T.;
Durham, Phillip G.;
Atalla, Sebastian;
Kelley, Michele;
Bryden, Nicholas J.;
Dayton, Paul A.;
Branca, Rosa T.

Publication type:

Article

Cover Feature: Metallofullertube: From Tubular Endohedral Structures to Properties (ChemPhysChem 24/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200858

By:

Li, Wang;
Wang, Chunru;
Wang, Taishan

Publication type:

Article

Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200857

By:

Coulet, Marie‐Vanessa;
Gourmellen, Loïc;
Denoyel, Renaud

Publication type:

Article

Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200856

By:

Zapata‐Acevedo, César A.;
Guevara‐Vela, José Manuel;
Popelier, Paul L. A.;
Rocha‐Rinza, Tomás

Publication type:

Article

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200455

By:

Zapata‐Acevedo, César A.;
Guevara‐Vela, José Manuel;
Popelier, Paul L. A.;
Rocha‐Rinza, Tomás

Publication type:

Article

Ground‐State Photoelectron Circular Dichroism of Methyl p‐Tolyl Sulfoxide by Single‐Photon Ionisation from a Table‐Top Source.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200575

By:

Waters, Max D. J.;
Ladda, Nicolas;
Senftleben, Arne;
Svoboda, Vít;
Belozertsev, Mikhail;
Baumert, Thomas;
Wörner, Hans Jakob

Publication type:

Article

Effect of Surface Curvature on Colloidal Stability of Silver Nanoparticles with Monomolecular and Mixed Thiol Ligand Layers in the Presence of Alkali Cations.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200564

By:

Malakhovsky, Pavel;
Minakov, Egor;
Rashkevich, Alexey;
Artemyev, Mikhail

Publication type:

Article

Designing a Propellane‐based Nonlinear Optically Active System Absorbing in Three Different Wavelength Regions.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200529

By:

Rajput, Swati Singh;
Alam, Mehboob

Publication type:

Article

Oxygen Healing and CO2/H2/Anisole Dissociation on Reduced Molybdenum Oxide Surfaces Studied by Density Functional Theory.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200510

By:

Lal Bose, Abir;
Agarwal, Vishal

Publication type:

Article

Metallofullertube: From Tubular Endohedral Structures to Properties.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200507

By:

Li, Wang;
Wang, Chunru;
Wang, Taishan

Publication type:

Article

Simultaneous Broadband Suppression of Homonuclear and Heteronuclear Couplings in 1H NMR Spectroscopy.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200495

By:

Mycroft, Coral;
Nilsson, Mathias;
Morris, Gareth A.;
Castañar, Laura

Publication type:

Article

A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200476

By:

Patkar, Deepak;
Bharati Ahirwar, Mini;
Deshmukh, Milind M.

Publication type:

Article

Electrochemical Performance of High‐Valence Mo6+ and Low‐Valence Mn2+ Doped‐ Na3V2(PO4)3@C Cathode for Sodium‐Ion Batteries.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200459

By:

Meghnani, Dipika;
Kumar Singh, Shishir;
Srivastava, Nitin;
Kumar Tiwari, Rupesh;
Mishra, Raghvendra;
Patel, Anupam;
Tiwari, Anurag;
Kumar Singh, Rajendra

Publication type:

Article

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200455

By:

Zapata‐Acevedo, César A.;
Guevara‐Vela, José Manuel;
Popelier, Paul L. A.;
Rocha‐Rinza, Tomás

Publication type:

Article

Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200438

By:

McHugh, Christian T.;
Durham, Phillip G.;
Atalla, Sebastian;
Kelley, Michele;
Bryden, Nicholas J.;
Dayton, Paul A.;
Branca, Rosa T.

Publication type:

Article

Energetics of Sulfur‐Carbon Interaction.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200416

By:

Coulet, Marie‐Vanessa;
Gourmellen, Loïc;
Denoyel, Renaud

Publication type:

Article

Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200413

By:

Saroj, Arti;
Ramanathan, Venkatnarayan;
Kumar Mishra, Brijesh;
Panda, Aditya N.;
Sathyamurthy, Narayanasami

Publication type:

Article

Identifying the Template for Oligomer to Fibril Conversion for Amyloid‐β (1‐42) Oligomers using Hamiltonian Replica Exchange Molecular Dynamics.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200393

By:

Saha, Debasis;
Jana, Biman

Publication type:

Article

Coherence and Efficient Energy Transfer in Molecular Wires: Insights from Surface Hopping Simulations.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200392

By:

Sindhu, Aarti;
Jain, Amber

Publication type:

Article

Determining the Gibbs Energy Contributions of Ion and Electron Transfer for Proton Insertion in ϵ‐MnO2.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200364

By:

Malaie, Keyvan;
Scholz, Fritz;
Schröder, Uwe;
Wulff, Harm;
Kahlert, Heike

Publication type:

Article

Microhydration of Phenyl Formate: Gas‐Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200330

By:

Panwaria, Prakash;
Juanes, Marcos;
Mishra, Kamal K.;
Saragi, Rizalina;
Borish, Kshetrimayum;
Usabiaga, Imanol;
Camiruaga, Ander;
Fernández, José A.;
Lesarri, Alberto;
Das, Aloke

Publication type:

Article

Influence of LiTaO3(0001) and KTaO3(001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200317

By:

Toledo, Felipe;
Schott, Eduardo;
Saavedra‐Torres, Mario;
Delgado, Eduardo;
Pecchi, Gina;
Zarate, Ximena

Publication type:

Article

Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200310

By:

Palomino‐Asencio, Luz;
Chigo‐Anota, Ernesto;
García‐Hernández, Erwin

Publication type:

Article

Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200300

By:

Carrera, Gonçalo V. S. M.;
Cruz, Mariana L.;
Klimenko, Kyrylo;
Esperança, José M. S. S.;
Aires‐de‐Sousa, João

Publication type:

Article

Confinement Dynamics of Nanodroplets between Two Surfaces: Effects of Wettability and Electric Field.

Published in:

ChemPhysChem, 2022, v. 23, n. 24, p. 1, doi. 10.1002/cphc.202200184

By:

Liu, Dandan;
Cao, Qianqian;
Piao, Zhongyu;
Li, Lujuan

Publication type:

Article

Works matching IS 14394235 AND DT 2022 AND VI 23 AND IP 24

Cover Feature: Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent (ChemPhysChem 24/2022).

Cover Feature: Metallofullertube: From Tubular Endohedral Structures to Properties (ChemPhysChem 24/2022).

Cover Feature: Energetics of Sulfur‐Carbon Interaction (ChemPhysChem 24/2022).

Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022).

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia.

Ground‐State Photoelectron Circular Dichroism of Methyl p‐Tolyl Sulfoxide by Single‐Photon Ionisation from a Table‐Top Source.

Effect of Surface Curvature on Colloidal Stability of Silver Nanoparticles with Monomolecular and Mixed Thiol Ligand Layers in the Presence of Alkali Cations.

Designing a Propellane‐based Nonlinear Optically Active System Absorbing in Three Different Wavelength Regions.

Oxygen Healing and CO<sub>2</sub>/H<sub>2</sub>/Anisole Dissociation on Reduced Molybdenum Oxide Surfaces Studied by Density Functional Theory.

Metallofullertube: From Tubular Endohedral Structures to Properties.

Simultaneous Broadband Suppression of Homonuclear and Heteronuclear Couplings in <sup>1</sup>H NMR Spectroscopy.

A Tug of War between the Self‐ and Cross‐associating Hydrogen Bonds in Neutral Ammonia‐Water Clusters: Energetic Insights by Molecular Tailoring Approach.

Electrochemical Performance of High‐Valence Mo<sup>6+</sup> and Low‐Valence Mn<sup>2+</sup> Doped‐ Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>@C Cathode for Sodium‐Ion Batteries.

Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia.

Low‐boiling Point Perfluorocarbon Nanodroplets as Dual‐Phase Dual‐Modality MR/US Contrast Agent.

Energetics of Sulfur‐Carbon Interaction.

Improved Estimates of Host‐Guest Interaction Energies for Endohedral Fullerenes Containing Rare Gas Atoms, Small Molecules, and Cations.

Identifying the Template for Oligomer to Fibril Conversion for Amyloid‐β (1‐42) Oligomers using Hamiltonian Replica Exchange Molecular Dynamics.

Coherence and Efficient Energy Transfer in Molecular Wires: Insights from Surface Hopping Simulations.

Determining the Gibbs Energy Contributions of Ion and Electron Transfer for Proton Insertion in ϵ‐MnO<sub>2</sub>.

Microhydration of Phenyl Formate: Gas‐Phase Laser Spectroscopy, Microwave Spectroscopy, and Quantum Chemistry Calculations.

Influence of LiTaO<sub>3</sub>(0001) and KTaO<sub>3</sub>(001) Perovskites Structures on the Molecular Adsorption of Styrene and Styrene oxide: A Theoretical Insight by Periodic DFT Calculations.

Insights on α‐Glucose Biosensors/Carriers Based on Boron‐Nitride Nanomaterials from an Atomistic and Electronic Point of View.

Prediction of the Phase Composition Profile of Three‐Compound Mixtures in Liquid‐Liquid Equilibrium: A Chemoinformatics Approach.

Confinement Dynamics of Nanodroplets between Two Surfaces: Effects of Wettability and Electric Field.