Alistar Ottochian
5PUBLICATIONS
14CO-AUTHORS
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Publications (5)
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|Jun 26, 2025
Sensing diclofenac with DNA aptamers: an atomistic picture from molecular modelling.Lana Bonnant, Alessandro Bonardi, Alistar Ottochian
|Feb 27, 2024
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian
|Jul 14, 2023
Barrier Heights for Diels-Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules.Maryam Mansoori Kermani, Hanwei Li, Alistar Ottochian
|Jun 28, 2023
Organic compounds for solid state luminescence enhancement/aggregation induced emission: a theoretical perspective.Michele Turelli, Ilaria Ciofini, Qinfan Wang
|Apr 02, 2021
A combined Monte Carlo/DFT approach to simulate UV-vis spectra of molecules and aggregates: Merocyanine dyes as a case study.Bernardino Tirri, Gloria Mazzone, Alistar Ottochian
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Frequent Collaborators
5 joint publications
Ilaria Ciofini
4 joint publications
Carlo Adamo
2 joint publications
Frédéric Labat
2 joint publications
Orlando Crescenzi
2 joint publications
Benjamin G Janesko
2 joint publications
Giovanni Scalmani
2 joint publications
Donald G Truhlar
1 joint publications
Gloria Mazzone
1 joint publications
Umberto Raucci
1 joint publications
Maryam Mansoori Kermani
