Quantum Mechanics of Molecules in their Explicit Environment: Shifting Reaction Pathways at Droplet Surfaces

10.4231/8XY3-2178

Namita Narendra , Robert Graham Cooks , Tillmann C Kubis

10/08/2024

Reaction pathways for condensation reactions leading to purine, adenine, benzimidazole, and benzoxazole in methanol.

Adenine Benzimidazole Benzoxazole Density Functional Theory Microdroplets Purine Reaction pathway