Journal Article 5 Research Support, Non-U.S. Gov't 2 molecular systems 2 Amides 1 Hessian matrix eigenvectors 1 Imides 1 Polymers 1 plus ... Review 1 ab initio molecular dynamics 1 amide 1 charge transfer processes 1 conformational changes 1 conjugated molecular systems 1 cooperativity 1 cyclic water clusters 1 dynamic molecular systems 1 energy landscape exploration 1 interactive materials 1 maximally localized Wannier functions 1 molecular chemistry 1 molecular design 1 molecular‐wide and electron density (MOWeD)‐based approach 1 naphthalene diimide 1 organic semiconductor 1 perylene diimide 1 smart materials 1 the fragment attributed molecular system energy change (FAMSEC)‐based method 1 the fragment, atomic, localized, delocalized and interatomic (FALDI)‐based electron density decomposition scheme 1 time-dependent density functional theory 1 transition state energies 1 moins ...