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

Results: 25

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
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
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
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
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
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
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
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
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
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
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

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

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

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

Metallofullertube: From Tubular Endohedral Structures to Properties.

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

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

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.

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

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

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.

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

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.