about
Gold(I) Hydrides as Proton Acceptors in Dihydrogen Bond Formation.FALDI-based decomposition of an atomic interaction line leads to 3D representation of the multicenter nature of interactions.Toward deformation densities for intramolecular interactions without radical reference states using the fragment, atom, localized, delocalized, and interatomic (FALDI) charge density decomposition scheme.Exact and exclusive electron localization indices within QTAIM atomic basins.FALDI-based criterion for and the origin of an electron density bridge with an associated (3,-1) critical point on Bader's molecular graphQuantifying individual (anti)bonding molecular orbitals' contributions to chemical bondingA reaction energy profile and fragment attributed molecular system energy change (FAMSEC)-based protocol designed to uncover reaction mechanisms: a case study of the proline-catalysed aldol reaction
P50
Q48060872-94DD37B2-9B82-421A-BAB7-3FA4F683189AQ48108412-DB61D7FF-7893-41C8-B999-1FD17790198DQ48171384-3DB0C4F4-ED6C-4ECA-81B7-A2D03CD873A9Q52595873-80C4CC71-F91B-4B20-82CB-FBE0297AD54EQ57467394-96703D90-8249-4E8E-B56A-D3B8AEE20181Q90139381-1A5B2730-06C5-40A6-AA19-BF00F68579CBQ92008774-807A6154-E2A4-40A0-A46B-0CC64E41AD98
P50
description
researcher
@en
name
Ignacy Cukrowski
@en
type
label
Ignacy Cukrowski
@en
prefLabel
Ignacy Cukrowski
@en
P31
P496
0000-0001-8007-5675