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List of works by Raghunathan Ramakrishnan

Big Data Meets Quantum Chemistry Approximations: The Δ-Machine Learning Approach

scientific article

Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies

scientific article published on 29 January 2021

Machine learning modeling of Wigner intracule functionals for two electrons in one-dimension

scientific article published on 01 April 2019

Publisher's Note: "Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations" [J. Chem. Phys. 152, 194111 (2020)]

scientific article published on 01 June 2020

Quantum chemistry structures and properties of 134 kilo molecules

scientific article

Quantum-chemistry-aided identification, synthesis and experimental validation of model systems for conformationally controlled reaction studies: separation of the conformers of 2,3-dibromobuta-1,3-diene in the gas phase

scientific article published on 09 June 2020

Revving up <sup>13</sup>C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules

scientific article published in 2021

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