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Results: 26

Role of Constituent Oxides for Thermal Mineralization of o‐Dichloro Benzene over Mixed‐Oxide‐TiO2 Catalysts: A Mechanistic Explanation.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300472
By:
- Bhattacharyya, Kaustava;
- Kumar, Adarsh;
- Tyagi, Deepak;
- Tripathi, A. K.;
- Tyagi, A. K.
Publication type:
Article
Front Cover: Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2 (ChemPhysChem 11/2024)
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400060
By:
- Pada Sarker, Hori;
- Abild‐Pedersen, Frank;
- Bajdich, Michal
Publication type:
Article
Cover Feature: Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems (ChemPhysChem 11/2024).
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400527
By:
- Chen, Benny Jun;
- Pradhan, Ekadashi;
- Nooijen, Marcel;
- Zeng, Tao
Publication type:
Article
Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024).
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400526
By:
- Osadchuk, Irina;
- Luts, Hanna‐Eliisa;
- Zahharova, Aleksandra;
- Tamm, Toomas;
- Borovkov, Victor
Publication type:
Article
Cover Feature: Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy (ChemPhysChem 11/2024).
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400525
By:
- Lackinger, Markus
Publication type:
Article
Front Cover: Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2 (ChemPhysChem 11/2024).
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400060
By:
- Pada Sarker, Hori;
- Abild‐Pedersen, Frank;
- Bajdich, Michal
Publication type:
Article
Prediction of Feasibility of Polaronic OER on the (110) Surface of Rutile TiO2.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400523
By:
- Pada Sarker, Hori;
- Abild‐Pedersen, Frank;
- Bajdich, Michal
Publication type:
Article
Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400156
By:
- Lackinger, Markus
Publication type:
Article
Alternating 3rd‐ to 2nd‐Order Charge Reaction Kinetics on Bismuth Vanadate Photoanodes with Ultrathin Bismuth Metal–Organic–Frameworks.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400141
By:
- Cao, Guangming;
- Liu, Yanjie;
- Hu, Jundie;
- Qu, Jiafu;
- Zhang, Zhichao;
- Xiong, Xianqiang;
- Sun, Wei;
- Yang, Xiaogang;
- Li, Chang Ming
Publication type:
Article
Density Functional Theory Calculations on Fluorescence‐Enhanced Mechanisms of the Optical Sensor for Zinc Ions, ADPA.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400140
By:
- Su, Quyan;
- Li, Yuanming;
- Han, Jia;
- Zhou, Xiaoguo;
- Liu, Shilin
Publication type:
Article
Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400130
By:
- Chen, Benny Jun;
- Pradhan, Ekadashi;
- Nooijen, Marcel;
- Zeng, Tao
Publication type:
Article
Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400104
By:
- Osadchuk, Irina;
- Luts, Hanna‐Eliisa;
- Zahharova, Aleksandra;
- Tamm, Toomas;
- Borovkov, Victor
Publication type:
Article
A Rotational Study of 2‐tert‐Butylphenol and Its 1 : 1 Argon Complex.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400089
By:
- Li, Wenqin;
- Heras, Domingo;
- Maris, Assimo;
- Melandri, Sonia;
- Lesarri, Alberto;
- Evangelisti, Luca
Publication type:
Article
Accurate Experimental Structure of 1‐Chloronaphthalene.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400072
By:
- Pinacho, Pablo;
- Gómez, Pablo;
- López, Juan Carlos;
- Blanco, Susana
Publication type:
Article
Multinuclear Residual Quadrupolar Couplings for Structure and Assignment.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400068
By:
- John, Michael;
- Rüttger, Franziska
Publication type:
Article
Quantum Chemistry and Pharmacy: Diagnostic Check of the Thermochemistry of Ibuprofen.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400066
By:
- Emel'yanenko, Vladimir N.;
- Zherikova, Kseniya V.;
- Verevkin, Sergey P.
Publication type:
Article
Modified Donor End Caps for Binary‐to‐Ternary WORM Memory Conversion in N‐Heteroaromatic Systems.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400062
By:
- Gayathri, Ramesh;
- Akshaya, Madanan;
- Imran, Predhanekar Mohamed;
- Nagarajan, Samuthira
Publication type:
Article
Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400060
By:
- Pada Sarker, Hori;
- Abild‐Pedersen, Frank;
- Bajdich, Michal
Publication type:
Article
Structure‐Guided Evolution of Cyclohexanone Monooxygenase Toward Bulky Omeprazole Sulfide: Substrate Migration and Stereoselectivity Inversion.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202400008
By:
- Wei, Shiyu;
- Xu, Guochao;
- Zhou, Jieyu;
- Ni, Ye
Publication type:
Article
Many‐body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300938
By:
- Sarmah, Amrit;
- Hobza, Pavel;
- Chandra, Asit K.;
- Mitra, Sivaprasad;
- Nakajima, Takahito
Publication type:
Article
Concentration‐Gradient Structural LiFe0.5Mn0.5PO4/C Prepared via Co‐precipitation Reaction for Advanced Lithium‐Ion Batteries.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300930
By:
- Jiang, Xiaoyan;
- Li, Lanyan;
- Wang, Xianyou;
- Luo, Zhigao
Publication type:
Article
Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300882
By:
- Mazarei, Elham;
- Saalfrank, Peter
Publication type:
Article
Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300867
By:
- Watanabe, Satoshi;
- Ono, Keigo;
- Nakayama, Rinsuke;
- Tajiri, Kaho;
- Inouchi, Shun;
- Matsuo, Takumi;
- Kunitake, Masashi;
- Hayashi, Shotaro
Publication type:
Article
Attenuating the Polysulfide Shuttle Mechanism by Separator Coating.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300858
By:
- Hirt, Sebastian Daniel;
- Opitz, Martin;
- Kappl, Herbert;
- Hägele, Mareike;
- Sous, Pascal;
- Oberschachtsiek, Bernd;
- Sörgel, Seniz;
- Kaßner, Holger;
- Hoster, Harry Ernst
Publication type:
Article
Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac‐Me2Si(η5‐C9H6)2Zr (SBIZr) Complexes.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300856
By:
- Collins, Scott;
- Linnolahti, Mikko
Publication type:
Article
Liquid Crystal Dimers and the Twist‐Bend Phases: Non‐Symmetric Dimers Consisting of Mesogenic Units of Differing Lengths.
Published in:
ChemPhysChem, 2024, v. 25, n. 11, p. 1, doi. 10.1002/cphc.202300848
By:
- Gibb, Calum J.;
- Majewska, Magdalena;
- Pociecha, Damian;
- Storey, John M.D.;
- Gorecka, Ewa;
- Imrie, Corrie T.
Publication type:
Article

Role of Constituent Oxides for Thermal Mineralization of o‐Dichloro Benzene over Mixed‐Oxide‐TiO<sub>2</sub> Catalysts: A Mechanistic Explanation.

Front Cover: Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO<sub>2</sub> (ChemPhysChem 11/2024)

Cover Feature: Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems (ChemPhysChem 11/2024).

Cover Feature: Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations (ChemPhysChem 11/2024).

Cover Feature: Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy (ChemPhysChem 11/2024).

Front Cover: Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO<sub>2</sub> (ChemPhysChem 11/2024).

Prediction of Feasibility of Polaronic OER on the (110) Surface of Rutile TiO<sub>2</sub>.

Possibilities and Limitations of Kinetic Studies in On‐Surface Synthesis by Real Time X‐ray Photoelectron Spectroscopy.

Alternating 3<sup>rd</sup>‐ to 2<sup>nd</sup>‐Order Charge Reaction Kinetics on Bismuth Vanadate Photoanodes with Ultrathin Bismuth Metal–Organic–Frameworks.

Density Functional Theory Calculations on Fluorescence‐Enhanced Mechanisms of the Optical Sensor for Zinc Ions, ADPA.

Adiabat‐to‐Diabat Angle in Seam Space: Renner‐Teller‐Type and Pseudo‐Jahn‐Teller‐Type Problems.

Controlling Chirogenic Effects in Porphyrin Based Supramolecular Systems: Theoretical Analysis Versus Experimental Observations.

A Rotational Study of 2‐tert‐Butylphenol and Its 1 : 1 Argon Complex.

Accurate Experimental Structure of 1‐Chloronaphthalene.

Multinuclear Residual Quadrupolar Couplings for Structure and Assignment.

Quantum Chemistry and Pharmacy: Diagnostic Check of the Thermochemistry of Ibuprofen.

Modified Donor End Caps for Binary‐to‐Ternary WORM Memory Conversion in N‐Heteroaromatic Systems.

Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO<sub>2</sub>.

Structure‐Guided Evolution of Cyclohexanone Monooxygenase Toward Bulky Omeprazole Sulfide: Substrate Migration and Stereoselectivity Inversion.

Many‐body Effects on Electronic Transport in Molecular Junctions: A Quantum Perspective.

Concentration‐Gradient Structural LiFe<sub>0.5</sub>Mn<sub>0.5</sub>PO<sub>4</sub>/C Prepared via Co‐precipitation Reaction for Advanced Lithium‐Ion Batteries.

Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study.

Phase Diagrams of Anthracene Derivatives in Pyridinium Ionic Liquids.

Attenuating the Polysulfide Shuttle Mechanism by Separator Coating.

Sheet Models for Methylaluminoxane (MAO) Activators? A Theoretical Case Study involving rac‐Me<sub>2</sub>Si(η<sup>5</sup>‐C<sub>9</sub>H<sub>6</sub>)<sub>2</sub>Zr (SBIZr) Complexes.

Liquid Crystal Dimers and the Twist‐Bend Phases: Non‐Symmetric Dimers Consisting of Mesogenic Units of Differing Lengths.