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Results: 25

Cover Feature: Effect of Humidity on Crystal Growth of CuSCN for Perovskite Solar Cell Applications (ChemPhysChem 8/2023).
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202300196
By:
- Kogo, Atsushi;
- Murakami, Takurou N.
Publication type:
Article
Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023).
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202300195
By:
- Li, Ning;
- Sun, Mengtao
Publication type:
Article
Cover Feature: First‐principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM‐promoted TiC2 (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au) (ChemPhysChem 8/2023).
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202300194
By:
- Guo, Hengquan;
- Gu Kang, Sung;
- Geol Lee, Seung
Publication type:
Article
Front Cover: Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity (ChemPhysChem 8/2023).
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202300193
By:
- Hamaguchi, Kazuma;
- Lu, Huanjun;
- Okamura, Shota;
- Kajiyama, Satoshi;
- Uchida, Junya;
- Sato, Shunsuke;
- Watanabe, Go;
- Ishii, Yoshiki;
- Washizu, Hitoshi;
- Ungar, Goran;
- Kato, Takashi
Publication type:
Article
Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200927
By:
- Hamaguchi, Kazuma;
- Lu, Huanjun;
- Okamura, Shota;
- Kajiyama, Satoshi;
- Uchida, Junya;
- Sato, Shunsuke;
- Watanabe, Go;
- Ishii, Yoshiki;
- Washizu, Hitoshi;
- Ungar, Goran;
- Kato, Takashi
Publication type:
Article
Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200927
By:
- Hamaguchi, Kazuma;
- Lu, Huanjun;
- Okamura, Shota;
- Kajiyama, Satoshi;
- Uchida, Junya;
- Sato, Shunsuke;
- Watanabe, Go;
- Ishii, Yoshiki;
- Washizu, Hitoshi;
- Ungar, Goran;
- Kato, Takashi
Publication type:
Article
A Theoretical Account of the Coupling between Metal‐ and Ligand‐centred Spins.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200889
By:
- Roy, Sriparna;
- Paul, Satadal;
- Misra, Anirban
Publication type:
Article
ZrN6‐Doped Graphene for Ammonia Synthesis: A Density Functional Theory Study.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200864
By:
- Wu, Jing;
- Yang, Lei;
- Liu, Xin;
- Zhang, Ze;
- Liu, Shanping;
- Xiao, Beibei
Publication type:
Article
Self‐organization in an Open Reaction Network for Developing High‐function Organized Molecular Systems**.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200847
By:
- Mukouyama, Yoshiharu;
- Nakato, Yoshihiro
Publication type:
Article
Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200846
By:
- Li, Ning;
- Sun, Mengtao
Publication type:
Article
Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200835
By:
- Yang, Tao;
- Li, Zhaoyang;
- Wang, Xue‐Bin;
- Hou, Gao‐Lei
Publication type:
Article
Effect of Humidity on Crystal Growth of CuSCN for Perovskite Solar Cell Applications.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200832
By:
- Kogo, Atsushi;
- Murakami, Takurou N.
Publication type:
Article
Improving the Catalytic Performance of the Hydrogen Evolution Reaction of α‐MoB2 via Rational Doping by Transition Metal Elements.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200824
By:
- Dohnal, Filip;
- Lazar, Petr
Publication type:
Article
First‐principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM‐promoted TiC2 (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au).
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200823
By:
- Guo, Hengquan;
- Gu Kang, Sung;
- Geol Lee, Seung
Publication type:
Article
New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200801
By:
- Zhao, Yueqiang;
- Wang, Shengkang;
- Chang, Yanjiao;
- Liu, Weiwei
Publication type:
Article
A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200786
By:
- Komissarov, Leonid;
- Krep, Lukas;
- Schmalz, Felix;
- Kopp, Wassja A.;
- Leonhard, Kai;
- Verstraelen, Toon
Publication type:
Article
On the Catalytic Performance of (ZrO)n (n=1–4) Clusters for CO Oxidation: A DFT Study.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200776
By:
- Ye, Ya‐Ling;
- Pan, Kai‐Yun;
- Wang, Wen‐Lu;
- Ni, Bi‐Lian;
- Sun, Wei‐Ming
Publication type:
Article
Unraveling the Efficiency of Thioxanthone Based Triplet Sensitizers: A Detailed Theoretical Study.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200753
By:
- Chandra Garain, Bidhan;
- Pati, Swapan K.
Publication type:
Article
Processes Induced by Electrons at Sub‐Ionization Energies Studied by the Correlated Ions‐(Ions/Neutrals) Mass Spectrometry.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200722
By:
- Charlieux, Florence;
- Abdoul‐Carime, Hassan
Publication type:
Article
Cu‐Doped MoSi2N4 Monolayer as a Potential NH3 Sensor.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200712
By:
- Linghu, Yaoyao;
- Tong, Tianyue;
- Wu, Chao
Publication type:
Article
Simultaneous Sensing of H2O, D2O and HOD through Peroxo Vibrations.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200684
By:
- Pal, Srimanta;
- Chattopadhyay, Arun
Publication type:
Article
Positive Valent Metal Sites in Electrochemical CO2 Reduction Reaction.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200657
By:
- Li, Wen Jing;
- Lou, Zhen Xin;
- Zhao, Jia Yue;
- Liu, Peng Fei;
- Yuan, Hai Yang;
- Yang, Hua Gui
Publication type:
Article
Understanding the Target Search by Multiple Transcription Factors on Nucleosomal DNA.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200644
By:
- Kumar Mishra, Sujeet;
- Bhattacherjee, Arnab
Publication type:
Article
DFT‐based Machine Learning for Ensemble Effect of Pd@Au Electrocatalysts on CO2 Reduction Reaction.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200642
By:
- Liu, Fuzhu;
- Gao, Peng‐Fei;
- Wu, Chao;
- Yang, Shengchun;
- Ding, Xiangdong
Publication type:
Article
Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators.
Published in:
ChemPhysChem, 2023, v. 24, n. 8, p. 1, doi. 10.1002/cphc.202200604
By:
- Das, Banshi;
- Chandra, Amalendu
Publication type:
Article

Cover Feature: Effect of Humidity on Crystal Growth of CuSCN for Perovskite Solar Cell Applications (ChemPhysChem 8/2023).

Cover Feature: Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology (ChemPhysChem 8/2023).

Cover Feature: First‐principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM‐promoted TiC<sub>2</sub> (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au) (ChemPhysChem 8/2023).

Front Cover: Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity (ChemPhysChem 8/2023).

Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity.

Reentrant 2D Nanostructured Liquid Crystals by Competition between Molecular Packing and Conformation: Potential Design for Multistep Switching of Ionic Conductivity.

A Theoretical Account of the Coupling between Metal‐ and Ligand‐centred Spins.

ZrN<sub>6</sub>‐Doped Graphene for Ammonia Synthesis: A Density Functional Theory Study.

Self‐organization in an Open Reaction Network for Developing High‐function Organized Molecular Systems**.

Optical Physical Mechanisms of Helicene Carbon Nanohoop with Möbius Topology.

Quantitative Descriptions of Dewar‐Chatt‐Duncanson Bonding Model: A Case Study of Zeise and Its Family Ions.

Effect of Humidity on Crystal Growth of CuSCN for Perovskite Solar Cell Applications.

Improving the Catalytic Performance of the Hydrogen Evolution Reaction of α‐MoB<sub>2</sub> via Rational Doping by Transition Metal Elements.

First‐principles Density Functional Theory Elucidation of the Hydrogen Evolution Reaction on TM‐promoted TiC<sub>2</sub> (TM=Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Os, Ir, Pt, and Au).

New Prediction Model of Surface and Interfacial Energies Based on COSMO‐UCE**.

A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development.

On the Catalytic Performance of (ZrO)<sub>n</sub> (n=1–4) Clusters for CO Oxidation: A DFT Study.

Unraveling the Efficiency of Thioxanthone Based Triplet Sensitizers: A Detailed Theoretical Study.

Processes Induced by Electrons at Sub‐Ionization Energies Studied by the Correlated Ions‐(Ions/Neutrals) Mass Spectrometry.

Cu‐Doped MoSi<sub>2</sub>N<sub>4</sub> Monolayer as a Potential NH<sub>3</sub> Sensor.

Simultaneous Sensing of H<sub>2</sub>O, D<sub>2</sub>O and HOD through Peroxo Vibrations.

Positive Valent Metal Sites in Electrochemical CO<sub>2</sub> Reduction Reaction.

Understanding the Target Search by Multiple Transcription Factors on Nucleosomal DNA.

DFT‐based Machine Learning for Ensemble Effect of Pd@Au Electrocatalysts on CO<sub>2</sub> Reduction Reaction.

Vibrational Sum Frequency Generation Spectra of Water‐Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators.