Solid-State Competitive Destabilization of Caffeine Malonic Acid Cocrystal: Mechanistic and Kinetic Investigations

Mhd. Bashir Alsirawan,Xiaojun Lai,Rafel Prohens,Venu R. Vangala,Sudhir K. Pagire,Petroc Shelley,Thomas J. Bannan,David Topping,Anant Paradkar

Solid-State Competitive Destabilization of Caffeine Malonic Acid Cocrystal: Mechanistic and Kinetic Investigations

2020

Mhd. Bashir Alsirawan
Xiaojun Lai
Rafel Prohens
Venu R. Vangala
Sudhir K. Pagire
Petroc Shelley
Thomas J. Bannan
David Topping
Anant Paradkar

The main objective of this research is to investigate both the mechanism and the kinetics of solvent-free destabilization of the model caffeine/malonic acid cocrystal (CA/MO 2:1) in the presence of...

Keywords:

Kinetic energy
Malonic acid
Mechanism (philosophy)
Cocrystal
Solid-state
Caffeine
Computational chemistry
Chemistry

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