Concepedia

First-principles study for exploring the adsorption behavior of G-series nerve agents on graphdyine surface

Sidra Khan, Muhammad Yar, Naveen Kosar, Khurshid Ayub, Muhammad Arshad, Tariq Mahmood

Computational and Theoretical Chemistry · 2020 · 96 citations · 60 references

DOI

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References

60

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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A graphene-based broadband optical modulator

Ming Liu, Xiaobo Yin, Erick Ulin-Avila et al. · Nature · 2011 · 3.4K citations

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Atomically Thin Arsenene and Antimonene: Semimetal–Semiconductor and Indirect–Direct Band‐Gap Transitions

Shengli Zhang, Zhong Yan, Yafei Li et al. · Angewandte Chemie International Edition · 2015 · 1.5K citations

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Psi4: an open‐source <i>ab initio</i> electronic structure program

Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.1K citations

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Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

Shengli Zhang, Meiqiu Xie, Fengyu Li et al. · Angewandte Chemie International Edition · 2015 · 807 citations · Full text

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