Results 81 to 90 of about 3,659 (130)

Orbital-based bonding analysis in solids. [PDF]

Chem Sci
Müller PC, Reitz LS, Hemker D, Dronskowski R.   +3 more
europepmc   +1 more source

Quantum interference features and thermoelectric properties of macrocyclic-single molecules: theoretical and modelling investigation. [PDF]

Nanoscale Adv
Halboos SH, Al-Owaedi OA, Al-Robayi EM.
europepmc   +1 more source

Learning radical excited states from sparse data. [PDF]

Chem Sci
Shen J, Walker LE, Ma K, Green JD, Bronstein H, Butler KT, Hele TJH.   +6 more
europepmc   +1 more source

Resonant Convergence: An Integrative Model for Electromagnetic Interactions in Biological Systems. [PDF]

Int J Mol Sci
Greco A.
europepmc   +1 more source

High-performance room-temperature molecular switches enabled by resonant tunnelling in dithia-porphyrins. [PDF]

Chem Sci
Garg K, Bisht N, Ramamurthy PC.
europepmc   +1 more source

Numerical Calculations of Electric Response Properties Using the Bubbles and Cube Framework. [PDF]

J Phys Chem A
Solala E, Xu WH, Parkkinen P, Sundholm D.   +3 more
europepmc   +1 more source

An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions. [PDF]

Chem Sci
Carpenter BK.
europepmc   +1 more source

The Aromaticity of Osmapentalenes Derivatives - An Analysis Based on Electron-Delocalization Indices. [PDF]

Chemphyschem
Grande-Aztazi R, Matito E, Ugalde JM, Mercero JM.   +3 more
europepmc   +1 more source

Theoretical investigation of magnetically induced currents in closed-shell molecules [PDF]

, 2004
Jusélius, Jonas
core  

Structures and Chemical Bonding of B₅O₇ ^+/0/- with a Hexagonal B₃O₃ Ring†. [PDF]

ACS Omega
Gao SJ, Hu C, Li F, Wang L.
europepmc   +1 more source