A density functional theory study on the kinetics of seven-member ring formation in polyaromatic hydrocarbons

by Menon, Angiras, Leon, Gustavo, Akroyd, Jethro, Kraft, Markus
Published 2021

Dynamic polarity of curved aromatic soot precursors

by Martin, Jacob W., Menon, Angiras, Lao, Chung Ting, Akroyd, Jethro, Kraft, Markus
Published 2020

Question answering system for chemistry—a semantic agent extension

by Zhou, Xiaochi, Nurkowski, Daniel, Menon, Angiras, Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
Published 2024

Automated rational design of metal-organic polyhedra

by Kondinski, Aleksandar, Menon, Angiras, Nurkowski, Daniel, Farazi, Feroz, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
Published 2022

OntoPESScan: an ontology for potential energy surface scans

by Menon, Angiras, Pascazio, Laura, Nurkowski, Daniel, Farazi, Feroz, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
Published 2023

Optical band gap of cross-linked, curved, and radical polyaromatic hydrocarbons

by Menon, Angiras, Dreyer, Jochen A. H., Martin, Jacob W., Akroyd, Jethro, Robertson, John, Kraft, Markus
Published 2021

An ontology and semantic web service for quantum chemistry calculations

by Krdzavac, Nenad, Mosbach, Sebastian, Nurkowski, Daniel, Buerger, Philipp, Akroyd, Jethro, Martin, Jacob, Menon, Angiras, Kraft, Markus
Published 2021

Polar curved polycyclic aromatic hydrocarbons in soot formation

by Menon, Angiras, Martin, Jacob W., Bowal, Kimberly, Slavchov, Radomir I., Akroyd, Jethro, Mosbach, Sebastian, Kraft, Markus
Published 2019

Predicting power conversion efficiency of organic photovoltaics: models and data analysis

by Eibeck, Andreas, Nurkowski, Daniel, Menon, Angiras, Bai, Jiaru, Wu, Jinkui, Zhou, Li, Mosbach, Sebastian, Akroyd, Jethro, Kraft, Markus
Published 2022