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Updated: Mar 13, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Published on: April 8, 2020

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通过相对论光电位方法改进了电子分子散射计算

Sudhanshu Arya1, Bobby Antony1

  • 1Atomic and Molecular Physics Laboratory, Department of Physics, Indian Institute of Technology (ISM) Dhanbad Jharkhand 826004 India bobby@iitism.ac.in.

RSC advances
|March 12, 2026
PubMed
概括

一个新的计算框架使用迪拉克方程方法改进了电子分子散射计算. 这种方法提高了电子分子相互作用的精度,跨越各种能量,对许多应用至关重要.

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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid08:54

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