Search

Categories

Organic Chemistry

(1)

Theoretical and Computational Chemistry

(2)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(2)

Last 3 years

(1)

Last 12 months

(1)

Last 6 months

(1)

Keywords

Population analysis

Authors

3 results in Keywords: Population analysis

Theoretical and Computational Chemistry

Mulliken-Dipole Population Analysis

Daniel G Trabada, Diego Soler-Polo, Jesus I. Mendieta-Moreno, José Ortega

Version 1 posted 28 July 2020

4,012

Downloads

1

Citations

Organic Chemistry

Regioselectivity of the Claisen rearrangement of meta- and para-substituted allyl aryl ethers

William Thomas Möller, Svava Dögg Hreinsdóttir, Luis Antonio Arana, Benjamín Ragnar Sveinbjörnsson

Version 1 posted 13 June 2024

271

Downloads

Theoretical and Computational Chemistry

LOBSTER: Local Orbital Projections, Atomic Charges, and Chemical Bonding Analysis from Projector-Augmented-Wave-Based DFT

Ryky Nelson, Christina Ertural, Janine George, Volker Deringer, Geoffroy Hautier, Richard Dronskowski

Version 1 posted 25 March 2020

2,616

Downloads