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List of works by Siddharth Dasgupta

Ab initio derived spectroscopic quality force fields for molecular modeling and dynamics

article

Crystal Structures and Properties of Nylon Polymers from Theory

article

Distance Dependent Hydrogen Bond Potentials for Nucleic Acid Base Pairs from ab Initio Quantum Mechanical Calculations (LMP2/cc-pVTZ)

Hessian‐biased force fields from combining theory and experiment

article

Initiation mechanisms and kinetics of pyrolysis and combustion of JP-10 hydrocarbon jet fuel.

scientific article published in March 2009

Mechanism for Unimolecular Decomposition of HMX (1,3,5,7-Tetranitro-1,3,5,7-tetrazocine), an ab Initio Study

Polyoxymethylene: the Hessian biased force field for molecular dynamics simulations

article

Resonance Raman spectroscopic evidence that carp deoxyhemoglobin remains in a T-like quaternary structure at high pH: implications for cooperativity.

scientific article published in April 1986

Stabilizing the Boat Conformation of Cyclohexane Rings

article

The Hessian biased singular value decomposition method for optimization and analysis of force fields

article

The Mechanism for Unimolecular Decomposition of RDX (1,3,5-Trinitro-1,3,5-triazine), an ab Initio Study

article

Ultraviolet resonance Raman spectra of hemoglobin excited at 200 and 218 nm: tertiary and quaternary structure differences

article published in 1985

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