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The Journal of Chemical Physics|November 14, 2025
It matters which double-hybrid is applied: On the sensitivity of singlet-triplet energy gaps in MR-TADF emitters to the ingredients of new modelsTahereh Izadkhast, Mojtaba AlipourThe Journal of Physical Chemistry. A|November 17, 2010
Computational insight into the static and dynamic polarizabilities of aluminum nanoclustersMojtaba Alipour, Afshan MohajeriPhysical Chemistry Chemical Physics : PCCP|November 20, 2020
Singlet fission relevant energetics from optimally tuned range-separated hybridsMojtaba Alipour, Zahra SafariJournal of Chemical Theory and Computation|June 4, 2021
Spin-Opposite-Scaled Range-Separated Exchange Double-Hybrid Models (SOS-RSX-DHs): Marriage Between DH and RSX/SOS-RSX Is Not Always a Happy MatchMojtaba Alipour, Niloofar KarimiPhysical Chemistry Chemical Physics : PCCP|May 10, 2024
Reaction rate constant: a theoretical description from local temperatureSaba Valatoon, Mojtaba AlipourThe Journal of Chemical Physics|July 10, 2023
Dissecting the ingredients of optimally tuned range-separated hybrid models for reliable description of non-adiabatic couplingsTahereh Izadkhast, Mojtaba AlipourPhysical Chemistry Chemical Physics : PCCP|July 25, 2019
Toward photophysical characteristics of triplet-triplet annihilation photon upconversion: a promising protocol from the perspective of optimally tuned range-separated hybridsMojtaba Alipour, Zahra SafariPhysical Chemistry Chemical Physics : PCCP|April 21, 2020
Appraising spin-state energetics in transition metal complexes using double-hybrid models: accountability of SOS0-PBESCAN0-2(a) as a promising paradigmMojtaba Alipour, Tahereh IzadkhastJournal of Computational Chemistry|June 8, 2020
Anionic behavior and single-molecule crystal in fullerene confinements: A contribution from DFT energy decomposition and cooperativity analysesMojtaba Alipour, Kimia KargarChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 14, 2016
Development of a Novel Index for Analysis of Electronically Excited StatesMojtaba Alipour, Samaneh DamiriPageof 4