The Second-Order NLO Property of A Photoswitchable Heteroditpioc Ion-Pair Receptor Based on 2-Pyridyl Acylhydrazone Linking with 2,6-Pyridine Bisamide: The Impacts of Metal Cations and Anions
Publication date: Available online 8 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Yao Yao, Yuan Zhang, Xiang Li, Yong-Qing Qiu (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 8, 2020 Category: Molecular Biology Source Type: research

Investigating the Regio-, Stereo-, and Enantio-Selectivities of the 1,3-Dipolar Cycloaddition Reaction of C-cyclopropyl-N-phenylnitrone Derivatives and Benzylidenecyclopropane Derivatives: A DFT Study
Publication date: Available online 8 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): George Baffour Pipim, Richard Tia, Evans Adei (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 8, 2020 Category: Molecular Biology Source Type: research

Design of antitumor drugs targeting c-kit receptor by a new mixed ligand-structure based method
Publication date: Available online 8 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Annamaria Martorana, Antonino Lauria (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 8, 2020 Category: Molecular Biology Source Type: research

A Comprehensive Computational Study and Simulation of Innovative Zwitterionic Materials for Enhanced Poly (Vinylidene Fluoride) Membrane Hydrophilicity
Publication date: Available online 8 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Mahboobeh Maghami, Amira Abdelrasoul (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 8, 2020 Category: Molecular Biology Source Type: research

Optimizing Small Conjugated Molecules for Solar-Cell Applications Using an Inverse-Design Method
Publication date: Available online 8 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Abdullah S. Khazaal, Michael Springborg, Chencheng Fan, Kai Huwig (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 8, 2020 Category: Molecular Biology Source Type: research