Atomic and molecular electron affinities: photoelectron experiments and theoretical computations
The energy difference between an uncharged species and its negative ion, referred to as an
electron affinity (EA), is an important property of atoms and molecules. Negative ions, or …
electron affinity (EA), is an important property of atoms and molecules. Negative ions, or …
Four decades of the chemistry of planar hypercoordinate compounds
The idea of planar tetracoordinate carbon (ptC) was considered implausible for a hundred
years after 1874. Examples of ptC were then predicted computationally and realized …
years after 1874. Examples of ptC were then predicted computationally and realized …
Semi-metallic Be5C2 monolayer global minimum with quasi-planar pentacoordinate carbons and negative Poisson's ratio
Designing new materials with novel topological properties and reduced dimensionality is
always desirable for material innovation. Here we report the design of a two-dimensional …
always desirable for material innovation. Here we report the design of a two-dimensional …
Be2C Monolayer with Quasi‐Planar Hexacoordinate Carbons: A Global Minimum Structure
The design of new materials is an important subject in order to attain new properties and
applications, and it is of particular interest when some peculiar topological properties such …
applications, and it is of particular interest when some peculiar topological properties such …
FeB6 Monolayers: The Graphene-like Material with Hypercoordinate Transition Metal
By means of density functional theory (DFT) computations and global minimum search using
particle-swarm optimization (PSO) method, we predicted three FeB6 monolayers, namely α …
particle-swarm optimization (PSO) method, we predicted three FeB6 monolayers, namely α …
Molecular anions
J Simons - The Journal of Physical Chemistry A, 2008 - ACS Publications
The experimental and theoretical study of molecular anions has undergone explosive
growth over the past 40 years. Advances in techniques used to generate anions in …
growth over the past 40 years. Advances in techniques used to generate anions in …
Carbon flatland: Planar tetracoordinate carbon and fenestranes
R Keese - Chemical reviews, 2006 - ACS Publications
The common structural features of optically active compounds, known in 1874, led van't Hoff
and, independently, Le Bel to the conclusion that tetracoordinate carbon compounds of type …
and, independently, Le Bel to the conclusion that tetracoordinate carbon compounds of type …
Predicting two-dimensional boron–carbon compounds by the global optimization method
We adopt a global optimization method to predict two-dimensional (2D) nanostructures
through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations …
through the particle-swarm optimization (PSO) algorithm. By performing PSO simulations …
ℝPM‐1: A recyclable nanoporous material suitable for ship‐in‐bottle synthesis and large hydrocarbon sorption
L Pan, H Liu, X Lei, X Huang, DH Olson… - Angewandte Chemie …, 2003 - Wiley Online Library
materials, 1D or 2D, which belong to a Co±bpdc±py (py ¼ pyridine) family readily convert to
this 1D compound when immersed in water, regardless of their initial dimensionality.[8] This …
this 1D compound when immersed in water, regardless of their initial dimensionality.[8] This …
Planar pentacoordinate carbons
Carbon centres in typical organic molecules have a coordination number that can reach a
maximum of four, in which case the bonded atoms are situated at the vertices of a …
maximum of four, in which case the bonded atoms are situated at the vertices of a …