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Theoretical and Computational Chemistry

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Manoj Kumar Kesharwani

2 results in Authors: Manoj Kumar Kesharwani

Theoretical and Computational Chemistry

The S66 noncovalent interactions benchmark reconsidered using explicitly correlated methods near the basis set limit

Manoj Kumar Kesharwani, Amir Karton, Nitai Sylvetsky, Jan M. L. Martin

Version 2 posted 11 December 2017

687

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Theoretical and Computational Chemistry

The X40x10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation

Manoj Kumar Kesharwani, Nitai Sylvetsky, Debashree Manna, Jan M.L. Martin

Version 2 posted 31 January 2018

817

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