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Physical Chemistry Chemical Physics : PCCP|May 10, 2024
Reaction rate constant: a theoretical description from local temperatureSaba Valatoon, 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 AlipourThe Journal of Physical Chemistry. A|July 9, 2014
Novel recipe for double-hybrid density functional computations of linear and nonlinear polarizabilities of molecules and nanoclustersMojtaba AlipourThe Journal of Physical Chemistry. A|February 25, 2014
How does LCDFT compare to SAC-CI for the treatment of valence and Rydberg excited states of organic compounds?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 IzadkhastPageof 4