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Synthesis, Crystal Structure, Quantum Computational, Biological Study, Molecular Docking and Molecular Dynamic Simulations Investigations on 2,2′-((1,4-phenylenebis(methylene)) Bis(sulfanediyl))dianiline

Akhilesh Sangeeta,Akhilesh Kumar,Aysha Fatima,Mudassar Shahid,Indresh Verma, Prerna Sharma,Himanshu Arora,Saleem Javed,Deepansh Sharma,Bhawna Uttam,Amit Rajput

JOURNAL OF MOLECULAR STRUCTURE（2025）

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Key words
Optimization,MEP,Hirshfeld surface,ELF,Vibrational analysis,Docking
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