Nityananda Sahu

6PUBLICATIONS
5CO-AUTHORS
Radiation and matterStatistical mechanics in chemistryBiomolecular modelling and design
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Publications (6)

|May 11, 2026
Extending the Molecular Tailoring Approach for Reliable and Efficient Nuclear Magnetic Resonance Spectral Calculations.

|Dec 03, 2025
Efficient High-Level Quantum Chemical Exploration of Clathrate Hydrates via Fragmentation.

Subodh S Khire, Nityananda Sahu, Takahito Nakajima

|Nov 24, 2025
Efficient Simulation of Raman Optical Activity Spectra via Molecular Tailoring Approach.

Simran Sharma, Subodh S Khire, Nityananda Sahu

|Jun 23, 2025
Assisting calculation of vibrational circular dichroism spectra by molecular tailoring approach.

Simran Sharma, Subodh S Khire, Shridhar R Gadre

|Jul 31, 2023
Combining fragmentation method and high-performance computing: Geometry optimization and vibrational spectra of proteins.

Nityananda Sahu, Subodh S Khire, Shridhar R Gadre

|May 19, 2023
Quasi-relativistic approach to analytical gradients of parity violating potentials.

Sascha A Brück, Nityananda Sahu, Konstantin Gaul

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Frequent Collaborators

5 joint publications

Subodh S Khire

2 joint publications

Shridhar R Gadre

1 joint publications

Konstantin Gaul

1 joint publications

Robert Berger