CCMSI has released a compact teaching module that guides learners through conformational analysis of esters and amides. The module walks through potential-energy surface scans, barrier estimation, and solvent effects using both implicit and mixed explicit models. Exercises illustrate practical decisions: dihedral scan resolution vs computational cost, constrained vs relaxed scans, and strategies for verifying that located minima and transition regions are physically meaningful and numerically stable.
Instructors receive annotated inputs, plotting scripts, and exemplar figures with captions that model clear scientific narration. The module stresses consistent units, explicit specification of functional and basis sets, and straightforward uncertainty statements—so that outputs can be reproduced or extended by peers. By pairing concise theory with hands-on practice, the resource supports courses in physical chemistry, computational chemistry, and molecular modeling.