Electronic and Nonlinear Optical Properties of B(III)-Submonoazaporphyrin-pi-Diimide Compounds: A Density Functional Theory Study (Na Hou and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

A Rotational Study of 2-tert-Butylphenol and Its 1:1 Argon Complex (Luca Evangelisti and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Pressure Induces Six-fold Coordination for the Lighter Pnictides Phosphorus and Arsenic Triiodide (Ayan Datta and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

XPS Analysis of FexNiyPS3 vdW Materials Used in the Hydrogen Evolution Processes (Yuriy Dedkov and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with #MachineLearning Models (Joseph A. Gauthier and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Role of Constituent Oxides for Thermal Mineralization of o-Dichloro Benzene over Mixed-Oxide-TiO2 Catalysts: A Mechanistic Explanation (Kaustava Bhattacharyya and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

New Perspectives on Delocalization Pathways in Aromatic Molecular Chameleons (Mercedes Alonso and co-workers) Computational and Theoretical Chemistry Group, @ALGC-VUB, Irene Casademont, Luis Leyva Parra, William Tiznado onlinelibrary.wiley.com/doi/10.1002/cp…

Theoretical Characterization of Germanene Doped with Main Group Elements (Pablo A. Denis and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

CO2 Hydrogenation to CH3OH on Metal-Doped TiO2(110): Mechanisms, Strain Effect and a New Thermodynamic-Kinetic Relation (Zhao-Xu Chen and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Co-Solutes Induced Changes in the Properties of Polymeric Solution and Water Dynamics (Debabrata Seth and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Density Functional Theory Calculations on Fluorescence-Enhanced Mechanisms of the Optical Sensor for Zinc Ions, ADPA (Xiaoguo Zhou and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Adiabat-to-Diabat Angle in Seam Space: Renner-Teller-Type and Pseudo-Jahn-Teller-Type Problems (Tao Zeng and co-workers) #OpenAccess onlinelibrary.wiley.com/doi/10.1002/cp…

Cu(I) Coordination Compounds Conjugated to Au Nanorods for Future Applications in Drug Delivery: Insights in Molecular, Electronic and Cu Local Structure in Solid and Liquid Phase (Chiara Battocchio and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Infrared Laser Stark Spectroscopy of Methyl Fluoride in 4He Nanodroplets (Paul L. Raston and Gary E. Douberly) onlinelibrary.wiley.com/doi/10.1002/cp…

Flexible Full-Inorganic Ultra#ThinFilms with Stable Circularly Polarized Luminescence Covering the Visible to Near-Infrared Region (Zhiyong Tang and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Advances in the Dynamics of Adsorbate Diffusion on Metal Surfaces: Focus on Hydrogen and Oxygen (Sen Lin and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Producing Conventional and Transient Amino(mercapto)methyl Radicals by Addition of Muonium to a Crystalline Thioformamide (Mes*NHCH=S) (Shigekazu Ito and co-workers) 東京工業大学 #OpenAccess onlinelibrary.wiley.com/doi/10.1002/cp…

Prediction of Feasibility of Polaronic OER on (110) Surface of Rutile TiO2 (Michal Bajdich and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…

Tuning Properties of Layered Materials Based on Hexagonal Boron Nitride by Methylation: A Density Functional Theory Study (Peter Saalfrank and co-workers) #OpenAccess thanks to #ProjektDEAL onlinelibrary.wiley.com/doi/10.1002/cp…

Alternating 3rd- to 2nd-Order Charge Reaction Kinetics on Bismuth Vanadate Photoanodes with Ultrathin Bismuth Metal-Organic-Frameworks (Xiaogang Yang and co-workers) onlinelibrary.wiley.com/doi/10.1002/cp…