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Munira Khalil

Massachusetts Institute of Technology

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A Theoretical Study of Polarization Selective Two-Dimensional Vibronic Spectroscopies of Multimode Systems

2020
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A time-dependent density functional theory protocol for resonant inelastic X-ray scattering calculations.

2020 arXiv: Chemical Physics
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Double Core Hole Valence-to-Core X-ray Emission Spectroscopy: A Theoretical Exploration Using Time-Dependent Density Functional Theory.

2019 arXiv: Chemical Physics
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Innenrücktitelbild: Untersuchung unabhängiger N-H- und N-C-Bindungsverformungen auf ultrakurzen Zeitskalen mit resonanter inelastischer Röntgenstreuung (Angew. Chem. 22/2017)

2017 Angewandte Chemie
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Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

2015 Journal of Chemical Theory and Computation
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Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy.

2014 Journal of Chemical Physics
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Simulating Ru L3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

2013 Journal of Physical Chemistry A
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Development of a Tunable Ultra-Broadband Mid IR Pulsed Source for Nonlinear Spectroscopy

2012 Bulletin of the American Physical Society
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Coherent fifth-order visible-infrared spectroscopies: ultrafast nonequilibrium vibrational dynamics in solution.

2012 Journal of Physical Chemistry A
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Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption.

2012 Journal of Chemical Theory and Computation
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Citations (151)