Practical Aspects of Computational Chemistry V

Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of Hexahydro-1,3,5-Trinitro-1,3,5-Triazine (RDX) and Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine(HMX)

Pub Date : 2021-10-22 DOI: 10.1007/978-3-030-83244-5_6 L. Sviatenko, L. Gorb, D. Leszczyńska, S. Okovytyy, M. Shukla, J. Leszczynski

Introductory Roadmap to Current Reactive Force-Field Methodologies

Pub Date : 2021-10-22 DOI: 10.1007/978-3-030-83244-5_1 Caitlin G. Bresnahan, G. Jenness, Revati Kumar, M. Shukla

A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles

Pub Date : 2021-10-22 DOI: 10.1007/978-3-030-83244-5_8 N. V. Trang, D. Q. Dao, P. V. Nhat, P. Thuy, M. Nguyen