Works matching IS 14394235 AND DT 2023 AND VI 24 AND IP 5
Results: 24
Band Edges Engineering of 2D/2D Heterostructures: The C<sub>3</sub>N<sub>4</sub>/Phosphorene Interface.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200791
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Lewis Acidity Trend of Boron and Aluminium Trihalides: If Not π Back‐Bonding, What Else?**.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200761
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Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200646
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Cover Feature: Effects of Microhydration on the Mechanisms of Hydrolysis and Cl<sup>−</sup> Substitution in Reactions of N<sub>2</sub>O<sub>5</sub> and Seawater (ChemPhysChem 5/2023).
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300085
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Cover Feature: Structural Properties of Hachimoji Nucleic Acids and Their Building Blocks: Comparison of Genetic Systems with Four, Six and Eight Alphabets (ChemPhysChem 5/2023).
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300084
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- Article
Cover Feature: Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling (ChemPhysChem 5/2023).
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200749
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Front Cover: Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods (ChemPhysChem 5/2023).
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300082
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Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200592
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First‐principles study of the magnetic exchange forces between the RuO<sub>2</sub>(110) surface and Fe tip.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200429
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- Article
Effects of Microhydration on the Mechanisms of Hydrolysis and Cl<sup>−</sup> Substitution in Reactions of N<sub>2</sub>O<sub>5</sub> and Seawater.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200819
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- Publication type:
- Article
Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling.
- Published in:
- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200749
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- Publication type:
- Article
Nanoporous Au Formation on Au Substrates via High Voltage Electrolysis**.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200645
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- Article
Effects of Heavy Iodine Atoms and π‐Expanded Conjugation on Charge Transfer Dynamics in Carboxylic Acid BODIPY Derivatives as Triplet Photosensitizers.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200735
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Dynamical and Mechanical Insights into the Li(<sup>2</sup>S)+ HCl(X1Σ+ ${X^1 {\rm{\Sigma }}^ + }$) Reaction: A Detailed Quantum Wavepacket Study.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200747
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Assessing the Effect of Dopants on the C−H Activation Activity of γ‐Al<sub>2</sub>O<sub>3</sub> using First‐Principles Calculations.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200670
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- Article
Structural Properties of Hachimoji Nucleic Acids and Their Building Blocks: Comparison of Genetic Systems with Four, Six and Eight Alphabets.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200714
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- Article
Glycolytic Wave Patterns in a Simple Reaction‐diffusion System with Inhomogeneous Influx: Dynamic Transitions.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200643
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Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200614
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- Article
Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods.
- Published in:
- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200592
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- Publication type:
- Article
Electronic Substitution Effect on the Ground and Excited State Properties of Indole Chromophore: A Computational Study**.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200541
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Quantum Phase Diagram of a Frustrated Spin‐1/2 Ferro‐Antiferromagnetic Normal Ladder.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200538
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Polysiloxane‐based Electrolytes: Influence of Salt Type and Polymer Chain Length on the Physical and Electrochemical Properties.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200527
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Inorganic Bergman Cyclization: An Appeal From Theory.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200504
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Computational Studies on the Structures of Nanographenes with Various Edge Functionalities.
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- ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200465
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