Alistar Ottochian

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 5

Top Topics

Density Functional Theory

Systemic Lupus Erythematosus

Top Venues

Journal of the American Chemical Society

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Journal of computational chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Donald G Truhlar, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry? Journal of the American Chemical Society (2024)
Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Donald G Truhlar, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry? Journal of the American Chemical Society 146 (10) (2024)
Maryam Mansoori Kermani, Hanwei Li, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo, Donald G Truhlar
Barrier Heights for Diels-Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules. The journal of physical chemistry letters (2023)
Michele Turelli, Ilaria Ciofini, Qinfan Wang, Alistar Ottochian, Frédéric Labat, Carlo Adamo
Organic compounds for solid state luminescence enhancement/aggregation induced emission: a theoretical perspective. Physical chemistry chemical physics : PCCP (2023)
Bernardino Tirri, Gloria Mazzone, Alistar Ottochian, Jerôme Gomar, Umberto Raucci, Carlo Adamo, Ilaria Ciofini
A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study. Journal of computational chemistry 42 (15) (2021)