Author:
Császár Attila G.,Leininger Matthew L.,Szalay Viktor
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
83 articles.
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1. Accurate ab initio potential energy surface, rovibrational energy levels and resonance interactions of triplet (X~3B1) methylene;Journal of Computational Chemistry;2023-09-08
2. Heteroatoms (B, N, S) doped quantum dots as potential drug delivery system for isoniazid: insight from DFT, NCI, and QTAIM;Heliyon;2023-01
3. Sub 20 cm−1 computational prediction of the CH bond energy – a case of systematic error in computational thermochemistry;Physical Chemistry Chemical Physics;2023
4. Effects of Thermodynamic Data on Combustion Characters of 1,3-Butadiene;CHEM J CHINESE U;2022
5. Reactivity, stability, and thermodynamics of para-methylpyridinium-based ionic liquids: Insight from DFT, NCI, and QTAIM;Journal of Ionic Liquids;2022-06