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H

H. Stoeckli-Evans

university of neuchatel
H指数:60
被引数:1.5万

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A new fluorinated hydrazone derivative as a multitarget therapeutic agent: Synthesis, crystal structure, spectroscopic characterization, Hirshfeld surface analysis, DFT/TD-DFT studies, NLO properties, in silico molecular docking, ADMET profiling, and biomimetic oxidation activity

一种新型氟化腙衍生物作为多靶点治疗剂:合成、晶体结构、光谱表征、Hirshfeld 表面分析、DFT/TD-DFT 研究、NLO 性质、体外分子对接、ADMET 成像分析以及生物模拟氧化活性

2025-10-010
PRE
SC-XRD investigation, DFT/TD-DFT, XRD/HSA-interaction, imine↔enol tautomerization and catecholase potential of new Zwitterionic pyran-2-one Schiff base ligand

SC-XRD研究、DFT/TD-DFT、XRD/HSA相互作用、亚胺↔烯醇互变异构以及新型两性离子吡喃-2-酮希夫碱配体的儿茶酚酶活性

2025-06-130
PRE
Synthesis of novel bi-Zwitterion Schiff base derivate from 4-hydroxy-2H-pyran-2-one: DFT/HSA-interactions, thermal, physicochemical, TD-DFT and optical activity

4-羟基-2h-吡喃-2-酮的新型双两性席夫碱衍生物的合成: DFT/HSA-相互作用,热,物理化学,td-dft和光学活性

2024-09-013
PRE
Synthesis, Crystal structure, Hirshfeld surface interactions, anti-corrosion analysis, DFT calculations, Docking studies and evaluation of the antioxidant activity of a new zwitterion Schiff base

新型两性离子席夫碱的合成,晶体结构,Hirshfeld表面相互作用,防腐分析,DFT计算,对接研究和抗氧化活性评估

2023-08-012
PRE
Evaluation of charge assisted hydrogen bonds in L-(S)-lysinium L-(S)-mandelate dihydrate and L-(S)-alanine L-(S)-mandelic acid complexes: Inputs from Hirshfeld surface, PIXEL energy and QTAIM analysis

L-(S)-赖氨酸L-(S)-扁桃酸二水合物和L-(S)-丙氨酸L-(S)-扁桃酸复合物中电荷辅助氢键的评估: 来自Hirshfeld表面,像素能量和QTAIM分析的输入

2020-11-014
PREAI