Optimized stationary points on the potential energy surfaces of the N(2D)+ C2H4 and N(2D)+ CH2CHCN reactions

This Zip file contains the cartesian coordinates of optimized stationary points on the potential energy surfaces (PESs) of two reactions: N(2D)+ C2H4 and N(2D)+ CH2CHCN. The PESs have been published in our article “Computational Investigation of the N(2D)+ C2H4 and N(2D)+ CH2CHCN Reactions: Benchmark Analysis and Implications for Titan’s Atmosphere” (Lecture Notes in Computer Science 2023, 14105, 705-717), that can be found in https://doi.org/10.1007/978-3-031-37108-0_45 . All calculations have been performed with Gaussian 09, Revision D.01. All structures have been optimized at B3LYP/aug-cc-pVTZ level of theory.