Works matching IS 14394235 AND DT 2022 AND VI 23 AND IP 1

Results: 19

Cover Feature: Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets (ChemPhysChem 1/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100870

By:

Bodenstein, Tilmann;
Heimermann, Andreas;
Fink, Karin;
van Wüllen, Christoph

Publication type:

Article

Cover Feature: Advances in Studies of Boron Nitride Nanosheets and Nanocomposites for Thermal Transport and Related Applications (ChemPhysChem 1/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100869

By:

Meziani, Mohammed J.;
Sheriff, Kirkland;
Parajuli, Prakash;
Priego, Paul;
Bhattacharya, Sriparna;
Rao, Apparao M.;
Quimby, Jesse L.;
Qiao, Rui;
Wang, Ping;
Hwu, Shiou‐Jyh;
Wang, Zhengdong;
Sun, Ya‐Ping

Publication type:

Article

Front Cover: A Machine Learning Model to Classify Dynamic Processes in Liquid Water (ChemPhysChem 1/2022).

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100868

By:

Huang, Jie;
Huang, Gang;
Li, Shiben

Publication type:

Article

A Machine Learning Model to Classify Dynamic Processes in Liquid Water.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100867

By:

Huang, Jie;
Huang, Gang;
Li, Shiben

Publication type:

Article

Always There Where the Science Is.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100817

By:

Bebensee, Fabian;
Pratim Pal, Partha;
Heydenrych, Greta;
Welter, Kira

Publication type:

Article

Boron Coordination Effect in Ni−Nx Doped Graphene Catalysts on the ORR Performance Based on DFT Calculations.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100692

By:

Zhang, Jingyu;
Cao, Da;
Liu, Hui;
Wang, Fangqing;
Liang, Limin;
Liu, Caichi;
Hao, Qiuyan;
Li, Ying

Publication type:

Article

Na⋯B bond in NaBH3- : An induced spin‐polarized bond.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100676

By:

Rincón, Luis;
Mora, Jose R.;
Rodriguez, Vladimir;
Torres, F. Javier

Publication type:

Article

Laser Induced Thermal Effect on the Polymerization Behavior in Upconversion Particle Assisted Near‐Infrared Photopolymerization.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100670

By:

Hu, Peng;
Xu, Hang;
Pan, Yue;
Sang, Xinxin;
Liu, Ren

Publication type:

Article

Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100648

By:

Bodenstein, Tilmann;
Heimermann, Andreas;
Fink, Karin;
van Wüllen, Christoph

Publication type:

Article

Advances in Studies of Boron Nitride Nanosheets and Nanocomposites for Thermal Transport and Related Applications.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100645

By:

Meziani, Mohammed J.;
Sheriff, Kirkland;
Parajuli, Prakash;
Priego, Paul;
Bhattacharya, Sriparna;
Rao, Apparao M.;
Quimby, Jesse L.;
Qiao, Rui;
Wang, Ping;
Hwu, Shiou‐Jyh;
Wang, Zhengdong;
Sun, Ya‐Ping

Publication type:

Article

Growth and Etching of the Grain Boundaries in Polygonal Graphene Islands.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100626

By:

Sun, Haibin;
Liang, Shuangshuang;
Zhang, Xiuyun

Publication type:

Article

Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100620

By:

Marchelli, Gwydyon;
Ingenmey, Johannes;
Hollóczki, Oldamur;
Chaumont, Alain;
Kirchner, Barbara

Publication type:

Article

Solvation and Ion‐Pairing Effects of Choline Acetate Electrolyte in Protic and Aprotic Solvents Studied by NMR Titrations.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100602

By:

Veroutis, Emmanouil;
Merz, Steffen;
Eichel, Rüdiger‐A.;
Granwehr, Josef

Publication type:

Article

A Machine Learning Model to Classify Dynamic Processes in Liquid Water**.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100599

By:

Huang, Jie;
Huang, Gang;
Li, Shiben

Publication type:

Article

Isobutane Transformation to Aromatics on Zn‐Modified Zeolites: Intermediates and the Effect of Zn2+ and ZnO Species on the Reaction Occurrence Revealed by 13C MAS NMR.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100587

By:

Gabrienko, Anton A.;
Lashchinskaya, Zoya N.;
Arzumanov, Sergei S.;
Toktarev, Alexander V.;
Freude, Dieter;
Haase, Jürgen;
Stepanov, Alexander G.

Publication type:

Article

The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100583

By:

Morteo‐Flores, Fabian;
Roldan, Alberto

Publication type:

Article

First Principles Dynamics Study of Excited Hole Relaxation in DNA.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100521

By:

Wong, Jian Cheng;
Kanai, Yosuke

Publication type:

Article

An "Onion‐like" Model of Protein Unfolding: Collective versus Site Specific Approaches.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100520

By:

Politou, Anastasia S.;
Pastore, Annalisa;
Temussi, Piero Andrea

Publication type:

Article

On the Structure of Sulfur/1,3‐Diisopropenylbenzene Co‐Polymer Cathodes for Li‐S Batteries: Insights from Density‐Functional Theory Calculations.

Published in:

ChemPhysChem, 2022, v. 23, n. 1, p. 1, doi. 10.1002/cphc.202100519

By:

Kiani, Rana;
Sebastiani, Daniel;
Partovi‐Azar, Pouya

Publication type:

Article

Works matching IS 14394235 AND DT 2022 AND VI 23 AND IP 1

Cover Feature: Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets (ChemPhysChem 1/2022).

Cover Feature: Advances in Studies of Boron Nitride Nanosheets and Nanocomposites for Thermal Transport and Related Applications (ChemPhysChem 1/2022).

Front Cover: A Machine Learning Model to Classify Dynamic Processes in Liquid Water (ChemPhysChem 1/2022).

A Machine Learning Model to Classify Dynamic Processes in Liquid Water.

Always There Where the Science Is.

Boron Coordination Effect in Ni−N<sub>x</sub> Doped Graphene Catalysts on the ORR Performance Based on DFT Calculations.

Na⋯B bond in NaBH3- : An induced spin‐polarized bond.

Laser Induced Thermal Effect on the Polymerization Behavior in Upconversion Particle Assisted Near‐Infrared Photopolymerization.

Development and Application of a Complete Active Space Spin‐Orbit Configuration Interaction Program Designed for Single Molecule Magnets.

Advances in Studies of Boron Nitride Nanosheets and Nanocomposites for Thermal Transport and Related Applications.

Growth and Etching of the Grain Boundaries in Polygonal Graphene Islands.

Hydrogen Bonding and Vaporization Thermodynamics in Hexafluoroisopropanol‐Acetone and ‐Methanol Mixtures. A Joined Cluster Analysis and Molecular Dynamic Study.

Solvation and Ion‐Pairing Effects of Choline Acetate Electrolyte in Protic and Aprotic Solvents Studied by NMR Titrations.

A Machine Learning Model to Classify Dynamic Processes in Liquid Water**.

Isobutane Transformation to Aromatics on Zn‐Modified Zeolites: Intermediates and the Effect of Zn<sup>2+</sup> and ZnO Species on the Reaction Occurrence Revealed by <sup>13</sup>C MAS NMR.

The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study.

First Principles Dynamics Study of Excited Hole Relaxation in DNA.

An "Onion‐like" Model of Protein Unfolding: Collective versus Site Specific Approaches.

On the Structure of Sulfur/1,3‐Diisopropenylbenzene Co‐Polymer Cathodes for Li‐S Batteries: Insights from Density‐Functional Theory Calculations.