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Issue Date
Title
Author(s)
2018-06-05
Computational study of proton transfer in diformyl dipyprromethanes and denitrogentation of 1-pyrazolines
Pradhan, Renuka
;
Lourderaj, U
2022-04-12
Computational studies of aromatic substitution and gas-surface reactions
Sharma, Nishant
;
Lourderaj, U
2022-11-30
Computational studies of the mechanisms and dynamics of chemical reactions
Yadav, Komal
;
Lourderaj, U
2023-08
Machine learning representation of potential energy surfaces and energy transfer in gas-surface scattering
Biswas, Rupayan
;
Lourderaj, U
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Author
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Biswas, Rupayan
1
Pradhan, Renuka
1
Sharma, Nishant
1
Yadav, Komal
Subject
2
Chemistry
1
Born- Oppenheimer (BO) Approximation
1
Computational Chemistry
1
Cyclopentadienyl (Cp) Rings
1
Density Functional Theory (DFT)
1
Electron- Electron Repulsion
1
Electrophilic Aromatic Substitution
1
Energy surfaces
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Energy transfer
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Equations of Motion (EOM)
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2022
1
2018
1
2023
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