Prasenjit Seal
Prasenjit Seal
Radical aerosol physical chemistry, Aerosol Physics Laboratory, Tampere University, Hervanta Campus
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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 …
P Seal, E Papajak, DG Truhlar
The journal of physical chemistry letters 3 (2), 264-271, 2012
Kinetics of the hydrogen atom abstraction reactions from 1-butanol by hydroxyl radical: theory matches experiment and more
P Seal, G Oyedepo, DG Truhlar
The Journal of Physical Chemistry A 117 (2), 275-282, 2013
Role of conformational structures and torsional anharmonicity in controlling chemical reaction rates and relative yields: butanal+ HO 2 reactions
J Zheng, P Seal, DG Truhlar
Chemical Science 4 (1), 200-212, 2013
Is nucleus-independent chemical shift scan a reliable aromaticity index for planar heteroatomic ring systems?
P Seal, S Chakrabarti
The Journal of Physical Chemistry A 111 (39), 9988-9994, 2007
Unraveling Photocatalytic Mechanism and Selectivity in PET‐RAFT Polymerization
P Seal, J Xu, S De Luca, C Boyer, SC Smith
Advanced Theory and Simulations 2 (6), 1900038, 2019
Searching of potential energy curves for the benzene dimer using dispersion-corrected density functional theory
PC Jha, Z Rinkevicius, H Ågren, P Seal, S Chakrabarti
Physical Chemistry Chemical Physics 10 (19), 2715-2721, 2008
Time-resolved, broadband UV-absorption spectrometry measurements of Criegee intermediate kinetics using a new photolytic precursor: unimolecular decomposition of CH 2 OO and …
J Peltola, P Seal, A Inkilä, A Eskola
Physical Chemistry Chemical Physics 22 (21), 11797-11808, 2020
CH/π interaction in benzene and substituted derivatives with halomethane: A combined density functional and dispersion-corrected density functional study
RC Dey, P Seal, S Chakrabarti
The Journal of Physical Chemistry A 113 (37), 10113-10118, 2009
Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
J Toulouse, E Rebolini, T Gould, JF Dobson, P Seal, JG Ángyán
The Journal of chemical physics 138 (19), 2013
Statistical thermodynamics of 1-butanol, 2-methyl-1-propanol, and butanal
P Seal, E Papajak, T Yu, DG Truhlar
The Journal of Chemical Physics 136 (3), 2012
Nanodusty plasma chemistry: a mechanistic and variational transition state theory study of the initial steps of silyl anion–silane and silylene anion–silane polymerization …
JL Bao, P Seal, DG Truhlar
Physical Chemistry Chemical Physics 17 (24), 15928-15935, 2015
Dynamical interactions of 5-fluorouracil drug with dendritic peptide vectors: the impact of dendrimer generation, charge, counterions, and structured water
S De Luca, P Seal, D Ouyang, HS Parekh, SK Kannam, SC Smith
The Journal of Physical Chemistry B 120 (25), 5732-5743, 2016
First-principle framework for total charging energies in electrocatalytic materials and charge-responsive molecular binding at gas–surface interfaces
X Tan, HA Tahini, P Seal, SC Smith
ACS Applied Materials & Interfaces 8 (17), 10897-10903, 2016
Thermochemistry of radicals formed by hydrogen abstraction from 1-butanol, 2-methyl-1-propanol, and butanal
E Papajak, P Seal, X Xu, DG Truhlar
The Journal of Chemical Physics 137 (10), 2012
Nonlinear Optical Switching Properties in the Furylfulgide Aberchrome 540− Dihydrobenzofuran Derivative Pair of Photochromic Materials
P Seal, S Chakrabarti
The Journal of Physical Chemistry A 114 (1), 673-679, 2010
Static and dynamic polarizabilities of (CdSe) n (n= 1–16) clusters
PC Jha, P Seal, S Sen, H Ågren, S Chakrabarti
Computational materials science 44 (2), 728-732, 2008
Binding and release between polymeric carrier and protein drug: pH-mediated interplay of coulomb forces, hydrogen bonding, van der waals interactions, and entropy
S De Luca, F Chen, P Seal, MH Stenzel, SC Smith
Biomacromolecules 18 (11), 3665-3677, 2017
Explicit role of dynamical and nondynamical electron correlations on broken symmetry in C 4 N+ 2 clusters
S Sen, P Seal, S Chakrabarti
Physical Review B 73 (24), 245401, 2006
Static and dynamic hyperpolarizability tensors of aluminum metal clusters, Al 4 M 4 (M= Li, Na, and K)
S Sen, P Seal, S Chakrabarti
Physical Review B 76 (11), 115414, 2007
Synthesis, optical properties and theoretical modelling of discrete emitting states in doped silicon nanocrystals for bioimaging
BFP McVey, D König, X Cheng, PB O'Mara, P Seal, X Tan, HA Tahini, ...
Nanoscale 10 (33), 15600-15607, 2018
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