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Physical 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 IzadkhastThe 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|September 26, 2022
Toward highly efficient hyperfluorescence-based emitters through excited-states alignment using novel optimally tuned range-separated modelsMojtaba Alipour, Tahereh IzadkhastThe Journal of Chemical Physics|February 16, 2022
Do any types of double-hybrid models render the correct order of excited state energies in inverted singlet-triplet emitters?Mojtaba Alipour, Tahereh IzadkhastThe 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 AlipourJournal of Computational Chemistry|April 11, 2018
Dipole moments of molecules with multi-reference character from optimally tuned range-separated density functional theoryMojtaba AlipourThe Journal of Physical Chemistry. A|March 26, 2013
Validation of double-hybrid density functionals for electric response properties of transition-metal systems: a new paradigm based on physical considerationsMojtaba AlipourThe Journal of Physical Chemistry. A|May 11, 2016
Seeking for Spin-Opposite-Scaled Double-Hybrid Models Free of Fitted ParametersMojtaba AlipourJournal of Molecular Graphics & Modelling|June 2, 2017
Gauging the performance of some density functionals including dispersion and nonlocal corrections for relative energies of water 20-mersMojtaba AlipourThe Journal of Physical Chemistry. A|May 17, 2013
How well can parametrized and parameter-free double-hybrid approximations predict response properties of hydrogen-bonded systems? Dipole polarizabilities of water nanoclusters as a working modelMojtaba AlipourPageof 4