Effect of water models on structure and dynamics of lignin in solution by Md Masrul Huda, Nusrat Jahan, Neeraj Rai

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Molecular insights into ionic liquid/aqueous interface of phosphonium based phase-separable ionic liquids by Shanmuga S. Venkatesan, Md. Masrul Huda, Neeraj Rai

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Donor-Acceptor Conjugated Macrocycles with Polyradical Character and Global Aromaticity by Md Abdus Sabuj, Md Masrul Huda, Neeraj Rai

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Molecular Insights into Gelation of Di-Fmoc‑l‑Lysine in Organic Solvent–Water Mixtures by Seyed Meysam Hashemnejad, Md Masrul Huda, Neeraj Rai, Santanu Kundu

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Evolution of the electronic structure in open-shell donor-acceptor organic semiconductors by Zhongxin Chen, Wenqiang Li, Md Abdus Sabuj, Yuan Li, Weiya Zhu, Miao Zeng, Chandra S. Sarap, Md Masrul Huda, Xianfeng Qiao, Xiaobin Peng, Dongge Ma, Yuguang Ma, Neeraj Rai, Fei Huang

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