Works matching IS 14394235 AND DT 2023 AND VI 24 AND IP 5

Results: 24

Cover Feature: Effects of Microhydration on the Mechanisms of Hydrolysis and Cl− Substitution in Reactions of N2O5 and Seawater (ChemPhysChem 5/2023).

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300085

By:

McCaslin, Laura M.;
Götz, Andreas W.;
Johnson, Mark A.;
Gerber, R. Benny

Publication type:

Article

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).

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300084

By:

Negi, Indu;
Singh, Bimaldeep;
Singh Mahmi, Amanpreet;
Sharma, Purshotam

Publication type:

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).

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200749

By:

Conrad, Jacy K.;
Mezyk, Stephen P.;
Isherwood, Liam H.;
Baidak, Aliaksandr;
Pilgrim, Corey D.;
Whittaker, Daniel;
Orr, Robin M.;
Pimblott, Simon M.;
Horne, Gregory P.

Publication type:

Article

Front Cover: Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods (ChemPhysChem 5/2023).

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202300082

By:

Jacobson, Greta;
Marmolejo‐Tejada, Juan M.;
Mosquera, Martín A.

Publication type:

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

By:

Jacobson, Greta;
Marmolejo‐Tejada, Juan M.;
Mosquera, Martín A.

Publication type:

Article

Effects of Microhydration on the Mechanisms of Hydrolysis and Cl− Substitution in Reactions of N2O5 and Seawater.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200819

By:

McCaslin, Laura M.;
Götz, Andreas W.;
Johnson, Mark A.;
Gerber, R. Benny

Publication type:

Article

Band Edges Engineering of 2D/2D Heterostructures: The C3N4/Phosphorene Interface.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200791

By:

Di Liberto, Giovanni;
Tosoni, Sergio

Publication type:

Article

Lewis Acidity Trend of Boron and Aluminium Trihalides: If Not π Back‐Bonding, What Else?**.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200761

By:

Thayyil, Ashith;
Parambil, Priyakumari Chakkingal

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

By:

Conrad, Jacy K.;
Mezyk, Stephen P.;
Isherwood, Liam H.;
Baidak, Aliaksandr;
Pilgrim, Corey D.;
Whittaker, Daniel;
Orr, Robin M.;
Pimblott, Simon M.;
Horne, Gregory P.

Publication type:

Article

Dynamical and Mechanical Insights into the Li(2S)+ HCl(X1Σ+ ${X^1 {\rm{\Sigma }}^ + }$) Reaction: A Detailed Quantum Wavepacket Study.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200747

By:

Yeswanth Kumar, Santhakumar;
Padmanaban, Ramanathan

Publication type:

Article

Effects of Heavy Iodine Atoms and π‐Expanded Conjugation on Charge Transfer Dynamics in Carboxylic Acid BODIPY Derivatives as Triplet Photosensitizers.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200735

By:

Akhuseyin Yildiz, Elif;
Yabaş, Ebru;
Sözmen, Fazlı;
Bozkurt, Yasemin;
Karatay, Ahmet;
Boyacioglu, Bahadir;
Ünver, Hüseyin;
Elmali, Ayhan

Publication type:

Article

Structural Properties of Hachimoji Nucleic Acids and Their Building Blocks: Comparison of Genetic Systems with Four, Six and Eight Alphabets.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200714

By:

Negi, Indu;
Singh, Bimaldeep;
Singh Mahmi, Amanpreet;
Sharma, Purshotam

Publication type:

Article

Assessing the Effect of Dopants on the C−H Activation Activity of γ‐Al2O3 using First‐Principles Calculations.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200670

By:

Singh, Priti;
Gogoi, Amrita;
Aien, Qurat Ul;
Dixit, Mudit

Publication type:

Article

Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200646

By:

Chakraborty, Anustup;
Venkatramani, Ravindra

Publication type:

Article

Nanoporous Au Formation on Au Substrates via High Voltage Electrolysis**.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200645

By:

Artmann, Evelyn;
Forschner, Lukas;
Schüttler, Konstantin M.;
Al‐Shakran, Mohammad;
Jacob, Timo;
Engstfeld, Albert K.

Publication type:

Article

Glycolytic Wave Patterns in a Simple Reaction‐diffusion System with Inhomogeneous Influx: Dynamic Transitions.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200643

By:

Kumar, Premashis;
Gangopadhyay, Gautam

Publication type:

Article

Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200614

By:

Lenk, Thorben;
Rabet, Sahar;
Sprick, Miriam;
Raabe, Gabriele;
Schröder, Uwe

Publication type:

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

By:

Jacobson, Greta;
Marmolejo‐Tejada, Juan M.;
Mosquera, Martín A.

Publication type:

Article

Electronic Substitution Effect on the Ground and Excited State Properties of Indole Chromophore: A Computational Study**.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200541

By:

Ray, Soumyadip;
Mondal, Padmabati

Publication type:

Article

Quantum Phase Diagram of a Frustrated Spin‐1/2 Ferro‐Antiferromagnetic Normal Ladder.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200538

By:

Chatterjee, Monalisa;
Maiti, Debasmita;
Kumar, Manoranjan

Publication type:

Article

Polysiloxane‐based Electrolytes: Influence of Salt Type and Polymer Chain Length on the Physical and Electrochemical Properties.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200527

By:

Celik‐Kucuk, Asuman;
Abe, Takeshi

Publication type:

Article

Inorganic Bergman Cyclization: An Appeal From Theory.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200504

By:

Kashyap, Chayanika;
Purkayastha, Siddhartha K.;
Rohman, Shahnaz S.;
Guha, Ankur K.

Publication type:

Article

Computational Studies on the Structures of Nanographenes with Various Edge Functionalities.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200465

By:

Takahashi, Shusaku;
Sekiya, Ryo;
Haino, Takeharu

Publication type:

Article

First‐principles study of the magnetic exchange forces between the RuO2(110) surface and Fe tip.

Published in:

ChemPhysChem, 2023, v. 24, n. 5, p. 1, doi. 10.1002/cphc.202200429

By:

Liang, Qiuhua;
Brocks, Geert;
Bieberle‐Hütter, Anja

Publication type:

Article

Works matching IS 14394235 AND DT 2023 AND VI 24 AND IP 5

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).

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).

Cover Feature: Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling (ChemPhysChem 5/2023).

Front Cover: Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods (ChemPhysChem 5/2023).

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods.

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.

Band Edges Engineering of 2D/2D Heterostructures: The C<sub>3</sub>N<sub>4</sub>/Phosphorene Interface.

Lewis Acidity Trend of Boron and Aluminium Trihalides: If Not π Back‐Bonding, What Else?**.

Gamma Radiation‐Induced Degradation of Acetohydroxamic Acid (AHA) in Aqueous Nitrate and Nitric Acid Solutions Evaluated by Multiscale Modelling.

Dynamical and Mechanical Insights into the Li(<sup>2</sup>S)+ HCl(X1Σ+ ${X^1 {\rm{\Sigma }}^ + }$) Reaction: A Detailed Quantum Wavepacket Study.

Effects of Heavy Iodine Atoms and π‐Expanded Conjugation on Charge Transfer Dynamics in Carboxylic Acid BODIPY Derivatives as Triplet Photosensitizers.

Structural Properties of Hachimoji Nucleic Acids and Their Building Blocks: Comparison of Genetic Systems with Four, Six and Eight Alphabets.

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.

Capturing the Polarization Response of Solvated Proteins under Constant Electric Fields in Molecular Dynamics Simulations.

Nanoporous Au Formation on Au Substrates via High Voltage Electrolysis**.

Glycolytic Wave Patterns in a Simple Reaction‐diffusion System with Inhomogeneous Influx: Dynamic Transitions.

Insight into the Interaction of Furfural with Metallic Surfaces in the Electrochemical Hydrogenation Process.

Cluster Amplitudes and Their Interplay with Self‐Consistency in Density Functional Methods.

Electronic Substitution Effect on the Ground and Excited State Properties of Indole Chromophore: A Computational Study**.

Quantum Phase Diagram of a Frustrated Spin‐1/2 Ferro‐Antiferromagnetic Normal Ladder.

Polysiloxane‐based Electrolytes: Influence of Salt Type and Polymer Chain Length on the Physical and Electrochemical Properties.

Inorganic Bergman Cyclization: An Appeal From Theory.

Computational Studies on the Structures of Nanographenes with Various Edge Functionalities.

First‐principles study of the magnetic exchange forces between the RuO<sub>2</sub>(110) surface and Fe tip.