Research Articleposted 2025-12-17 06:53:45
Simulation Study on the Adsorption Effect of Modified Black Phosphorus on Volatile Organic Compounds
YuXi Luo, Jiachen Xu, Zhang-e peng, Lin Liu, Wenxuan Qu
Under Revision
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Research Articleposted 2025-12-01 12:41:31
Optimizing oil selection for curcumin-based nanoemulsions formulation through molecular self-assembly
Aina Hazimah Bahaman, Prapasiri Pongprayoon, Bimo Ario Tejo, Mohd Basyaruddin Abdul Rahman
Under Review
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Research Articleposted 2025-11-25 03:26:17
Enhancing the Solubility of Metronidazole Using Deep Eutectic Solvents: A Computational Insight Into a Green Formulation Strategy
Umar Mogaji Muhammed, Toyese Oyegoke
Under Review
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Research Articleposted 2025-11-12 11:08:54
The Influence of the Substituent Position in Coumarin Derivatives on the Properties of Hydrogen Bonds
Jiaqi Li, Zhongxin Zhang, Haitao Sun, Yu Wang, Xiatiguli Kahaer, Dilihumaer Aizezi, Mei Xiang, and 1 more authors
Under Review
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Research Articleposted 2025-11-04 04:18:40
Electronic, optical and mechanical properties of a novel high-symmetry silicon carbide predicted using first-principles calculations
Jinlong Xiong, Zhengwei Shui, Qiang Luo, Mi Zhong, Yi Qiu, Yang Xiao, Junjie Luo, and 1 more authors
Under Review
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Research Articleposted 2025-10-15 17:29:12
Rational design and comparative docking and simulation of modified FLT3 inhibitors: A study on enhanced binding stability and inhibition potency
Uddalak Das, Dheemanth Regati, R. Sowdhamini, Jitendra Kumar
Under Review
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Research Articleposted 2025-10-07 18:57:27
Study on the Mechanical Properties and Critical Temperature of FeNiCrMn Alloy Using MD–ML–MA Framework
Jing Liu, Jinyuan Mao, Bin Wang, Qiankun Wang, Nan Zhang, Shiyi Pan
Published
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Research Articleposted 2025-10-06 12:10:32
Stereochemical Determination of Hydroxylated Derivatives of Progesterone by Quantum NMR Calculations
Cassia R. Rambo, Samuel F. C. Paula, André L. M. Porto, Isac G. Rosset
Published
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Research Articleposted 2025-09-29 08:48:43
Boron-Modified Phenolic Resin: Thermal Stability and Decomposition Mechanisms via Experiments and Simulations
Xiao-Feng Qing, Xiao Liu, Qing Han, Jia-Jun Ma, Li-Juan Ran, Fei Zhou, Bo Dai, and 1 more authors
Published
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Research Articleposted 2025-09-16 18:20:05
Detailed Investigation of the Spectroscopic Features of Nicardipine Hydrochloride Using Experimental and Quantum Chemical Methods
Sumeyra Can, Mehmet Cinar, Özlem Baris
Published
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