Search

Categories

Materials Chemistry

(2)

Organic Chemistry

(4)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(4)

Content Types

Working Paper

(4)

Published Date

Over 3 years

(1)

Last 3 years

(3)

Last 12 months

(1)

Keywords

Polycyclic aromatic systems

Authors

4 results in Keywords: Polycyclic aromatic systems

Organic Chemistry

Predi-XY: A Python Program for Automated Generation of NICS-XY-Scans Based on an Additivity Scheme

Alexandra Wahab, Felix Fleckenstein, Stefan Feusi, Renana Gershoni-Poranne

Version 1 posted 30 September 2020

717

Downloads

Materials Chemistry

Guided Diffusion for Inverse Molecular Design

Tomer Weiss, Luca Cosmo, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Alex M. Bronstein, Renana Gershoni-Poranne

Version 1 posted 05 April 2023

3,951

Downloads

Organic Chemistry

The COMPAS Project: A Computational Database of Polycyclic Aromatic Systems. Phase 2: cata-condensed Hetero-Polycyclic Aromatic Systems

Eduardo Mayo Yanes, Sabyasachi Chakraborty, Renana Gershoni-Poranne

Version 1 posted 26 July 2023

284

Downloads

Organic Chemistry

Hetero-Polycyclic Aromatic Systems: A Data-Driven Investigation of Structure-Property Relationships

Sabyasachi Chakraborty, Eduardo Mayo Yanes, Renana Gershoni-Poranne

Version 1 posted 06 May 2024

299

Downloads