Pavel A Dub

16PUBLICATIONS
45CO-AUTHORS
Chemical and thermal processes in energy and combustionOrganometallic chemistryProgramming languagesMetal cluster chemistryTheoretical quantum chemistry
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Publications (16)

|Aug 31, 2026
Automated Reaction Network Enumeration and Profiling Platform for Mechanism-Guided Catalyst Design and Reactivity Optimization.

|Aug 30, 2024
Enantioselective Transfer Hydrogenation of α-Methoxyimino-β-keto Esters.

Prabhakara R Tharra, Jiří Švejkar, Abhijeet S Jadhav

|Aug 02, 2024
Quantum chemical package Jaguar: A survey of recent developments and unique features.

Yixiang Cao, Ty Balduf, Michael D Beachy

|May 10, 2023
On the existence of CO32- microsolvated clusters: a theoretical study.

Pavel Rublev, Nikolay V Tkachenko, Pavel A Dub

|Mar 06, 2023
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer.

Ayush Asthana, Ashutosh Kumar, Vibin Abraham

|Oct 11, 2022
Catalytic Stereoconvergent Synthesis of Homochiral β-CF3, β-SCF3, and β-OCF3 Benzylic Alcohols.

Andrej Emanuel Cotman, Pavel A Dub, Maša Sterle

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Frequent Collaborators

3 joint publications

Sergei Tretiak

2 joint publications

Guoqi Zhang

2 joint publications

Shengping Zheng

2 joint publications

Michelle C Neary