Multireference Nature of Chemistry: The Coupled-Cluster View | Chemical Reviews ACS ACS Publications C&EN CAS Find my institution Log In Chemical Reviews ACS Publications. Most …
T Constantin, B Górski, MJ Tilby, S Chelli, F Juliá… - Science, 2022 - science.org
The generation of carbon radicals by halogen-atom and group transfer reactions is generally achieved using tin and silicon reagents that maximize the interplay of enthalpic …
Since we intend to review experimental and theoretical studies of physicochemical processes occurring on cosmic dust grains in very cold regions in space, we start with a brief …
S Grimme, PR Schreiner - Angewandte Chemie (International ed. in …, 2017 - europepmc.org
" Where do we go from here?" is the underlying question regarding the future (perhaps foreseeable) developments in computational chemistry. Although this young discipline has …
AB Henson, S Gersten, Y Shagam, J Narevicius… - Science, 2012 - science.org
Experiments have lagged theory in exploring chemical interactions at temperatures so low that translational degrees of freedom can no longer be treated classically. The difficulty has …
Understanding the abundances of molecules in dense interstellar clouds requires knowledge of the rates of gas-phase reactions between uncharged species. However …
Quantum mechanical tunneling of atoms is increasingly found to play an important role in many chemical transformations. Experimentally, atom tunneling can be indirectly detected …
PR Schreiner - Journal of the American Chemical Society, 2017 - ACS Publications
This Perspective describes the emergence of tunneling control as a new reactivity paradigm in chemistry. The term denotes a tunneling reaction that passes through a high but narrow …
This Perspective presents a personal overview of the current status of the theory of chemical kinetics and mechanisms for complex processes. We attempt to assess the status of the field …