NWChem and NWChemEx Plane-Wave Methods
Book chapter (January 2024)
The most recent citing publications are shown below. View all 33 publications that cite this research output on Dimensions.
Research on the reaction mechanism of 2,4,6‐trinitrotoluene resource utilization I: Formation of 2,4,6‐trinitrobenzoic acid in acetic acid with N,N′,N″‐trihydroxyisocyanuric acid catalyst
Article in Journal of Physical Organic Chemistry (August 2023)
Heuristic-Based Alkaline Hydrolysis Mechanism of Nitrate Ester (Nitrocellulose Monomer) and Nitroamine (Hexogen) Compounds: Electrostatic Attraction Effect of the Nitro Group
Article in The Journal of Physical Chemistry A (February 2023)