List of works - Prasenjit Seal

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.

scientific article published in May 2013

Binding and Release between Polymeric Carrier and Protein Drug: pH-Mediated Interplay of Coulomb Forces, Hydrogen Bonding, van der Waals Interactions, and Entropy

scientific article published on 7 September 2017

CH/pi interaction in benzene and substituted derivatives with halomethane: a combined density functional and dispersion-corrected density functional study.

scientific article published in September 2009

Carbondioxide rare-gas systems: sensitivity of basis sets and double-hybrid density functionals

scientific article published on 01 July 2010

Is nucleus-independent chemical shift scan a reliable aromaticity index for planar heteroatomic ring systems?

scientific article published on 06 September 2007

Kinetics of the Hydrogen Abstraction from Carbon-3 of 1-Butanol by Hydroperoxyl Radical: Multi-Structural Variational Transition-State Calculations of a Reaction with 262 Conformations of the Transition State

scientific article published on 10 January 2012

Kinetics of the hydrogen atom abstraction reactions from 1-butanol by hydroxyl radical: theory matches experiment and more

scientific article published on 8 January 2013

Large entropic effects on the thermochemistry of silicon nanodusty plasma constituents

scientific article published on 10 February 2014

Nonlinear optical switching properties in the furylfulgide aberchrome 540-dihydrobenzofuran derivative pair of photochromic materials

scientific article published in January 2010

Origin of the nonplanarity of tetrafluoro cyclobutadiene, C4F4

scientific article published on 01 February 2007

Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal + HO2reactions

Role of pi-conjugation in influencing the magnetic interactions in dinitrenes: a broken-symmetry approach

scientific article published on 01 January 2010

Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory

scientific article published on 26 February 2008

Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal

scientific article published in January 2012

Suitability of double hybrid density functionals and their dispersion-corrected counterparts in producing the potential energy curves for CO2-Rg (Rg: He, Ne, Ar and Kr) systems

scientific article published on 01 February 2009

Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal

scientific article

Time-resolved, broadband UV-absorption spectrometry measurements of Criegee intermediate kinetics using a new photolytic precursor: unimolecular decomposition of CH2OO and its reaction with formic acid

scientific article published on 29 April 2020

List of works by Prasenjit Seal