Manoj K. Kesharwani

Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

Dimitrios G. Liakos, Manuel Sparta, Manoj K. Kesharwani et al. · Journal of Chemical Theory and Computation · 2015 · 711 citations

Cluster Science, Engineering, Physics +15

Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

Manoj K. Kesharwani, Brina Brauer, Jan M. L. Martin · The Journal of Physical Chemistry A · 2014 · 627 citations

Engineering, Computational Chemistry, Chemistry +16

Ratiometric Detection of Cr³⁺and Hg²⁺by a Naphthalimide-Rhodamine Based Fluorescent Probe

Prasenjit Mahato, Sukdeb Saha, Eringathodi Suresh et al. · Inorganic Chemistry · 2012 · 317 citations

The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory

Brina Brauer, Manoj K. Kesharwani, Sebastian Kozuch et al. · Physical Chemistry Chemical Physics · 2016 · 238 citations · Full text

Chirality-induced spin polarization places symmetry constraints on biomolecular interactions

Anup Kumar, Eyal Capua, Manoj K. Kesharwani et al. · Proceedings of the National Academy of Sciences · 2017 · 212 citations · Full text

Charge Excitations, Engineering, Spin-charge Conversion +19