Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles - researchr publication

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Bónis Barcza, Ádám B. Szirmai, Katalin J. Szántó, Attila Tajti, Péter G. Szalay. Comparison of approximate intermolecular potentials for ab initio fragment calculations on medium sized N-heterocycles. Journal of Computational Chemistry, 43(16):1079-1093, 2022. [doi]

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