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50 积分 2024-07-04 加入
Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and substituent effects
8天前
已完结
Application of density functional theory (DFT) and response surface methodology (RSM) in drug discovery
11天前
已关闭
Theoretical and experimental approaches of new Schiff bases: efficient synthesis, X-ray structures, DFT, molecular modeling and ADMET studies
13天前
已完结
Insights into DES Stability and Reactivity with Carboxylic Acids: A Computational Approach
1个月前
已完结
Fatty acyl recognition and transfer by an integral membrane S-acyltransferase
3个月前
已完结
A theoretical study on the stability and intramolecular interaction in 5-nitrotetrazolates with the DFT and DFT-D methods
3个月前
已完结
Balanced QSAR and Molecular Modeling to Identify Structural Requirements of Imidazopyridine Analogues as Anti-infective Agents Against Trypanosomiases
3个月前
已完结
Molecular Dynamic Simulations of Dual Inhibitors for AChE and BChE; Theoretical and Experimental Approaches
3个月前
已完结
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