Search

5 results in Keywords: structure-property relationship

Inorganic Chemistry

Computationally Driven Discovery of Layered Quinary Oxychalcogenides: Potential p-Type Transparent Conductors?

Benjamin Williamson, Gregory Limburn, Graeme W. Watson, Geoffrey Hyett, David Scanlon

Version 2 posted 05 April 2019

1,325

Downloads

Theoretical and Computational Chemistry

Identifying Structure-Property Relationships through SMILES Syntax Analysis With Self-Attention Mechanism

Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu

Version 2 posted 14 November 2018

2,727

Downloads

1

Citations

Polymer Science

Systematic and Quantitative Structure-Property Relationships of Polymeric Medical Nanomaterials: From Systematic Synthesis and Characterization to Computer Modeling and Nano-Bio Interaction and Toxicity

kegang Liu, xueya wang, Xiaochun Li-Blatter, Marc P. Wolf, Patrick Hunziker

Version 1 posted 18 May 2020

434

Downloads

Inorganic Chemistry

Long Story Short: Donor Set Symmetry in Eu(DOTA) Crystals Determines the Electronic Structure

Maria Storm Thomsen, Helene O B Andersen, Thomas Just Sørensen

Version 1 posted 07 July 2022

152

Downloads

Theoretical and Computational Chemistry

Revealing the Role of Local Octahedral Distortions in Hybrid Halide Perovskites Through Physical-Informed Data-Driven Machine Learning

Xian Chen, Zhe-Ning Chen, Tianmin Wu, Jun Chen

Version 1 posted 15 November 2024

16

Downloads