Beyond Empirical Trends: Density Functional Theory-Based Nuclear Magnetic Resonance Analysis of Mono-Hydroxyflavone Derivatives by Feng Wang, Vladislav Vasilyev

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Graph2Mat: universal graph to matrix conversion for electron density prediction by Pol Febrer, Peter Bjørn Jørgensen, Miguel Pruneda, Alberto García, Pablo Ordejón, Arghya Bhowmik

Subjects: “…electronic structure…”
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A first-principles study on the improved formaldehyde gas-sensing performance of Ni-doped ZnSnO3 by Jianzu Shen, Yuting Yang, Shuying Wu, Zhaoman Zhu, Kun Zha

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Strain and Layer Modulations of Optical Absorbance and Complex Photoconductivity of Two-Dimensional InSe: A Study Based on GW0+BSE Calculations by Chuanghua Yang, Yuan Jiang, Wendeng Huang, Feng Pan

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Understanding the Interface Characteristics Between TiB₂(0001) and L1₂-Al₃Zr(001): A First-Principles Investigation by Xingzhi Pang, Loujiang Yang, Hang Nong, Mingjun Pang, Gaobao Wang, Jian Li, Zhenchao Chen, Wei Zeng, Zhihang Xiao, Zengxiang Yang, Hongqun Tang

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Atomic-scale insights into electronic structure of lattice-work structures on rutile TiO2(001) surface by Eiichi Inami, Seiga Koga, Linfeng Hou, Fengxuan Li, Daiki Katsube, Masayuki Abe

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X‐Ray and Electron Spectroscopy of the CdS/(Ag,Cu)(In,Ga)Se2 Interface With RbF Treatment by Dirk Hauschild, Luisa Both, Mary Blankenship, Constantin Wansorra, Ralph Steininger, Wanli Yang, Dimitrios Hariskos, Wolfram Witte, Rico Gutzler, Michael Powalla, Clemens Heske, Lothar Weinhardt

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