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Publications by I. R. Gentle

Effects of Fluorination on Iridium(III) Complex Phosphorescence: Magnetic Circular Dichroism and Relativistic Time-Dependent Density Functional Theory

Inorganic Chemistry
Inorganic ChemistryChemistryTheoretical ChemistryPhysical
2012English

Time-Resolved Grazing-Incidence Diffraction Studies of Thin Films Using an Imaging-Plate Camera and Focusing Monochromator

Journal of Synchrotron Radiation
High Energy PhysicsInstrumentationRadiationNuclear
1998English

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Calculation of the a Term of Magnetic Circular Dichroism Based on Time Dependent-Density Functional Theory I. Formulation and Implementation

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Time-Dependent Density Functional Theory

Lecture Notes in Physics
AstronomyPhysics
2003English

Absorption Spectra of Caffeic Acid, Caffeate and Their 1:1 Complex With Al(III): Density Functional Theory and Time-Dependent Density Functional Theory Investigations

English

Time Dependent Density Functional Theory Calculations for Electronic Circular Dichroism Spectra and Optical Rotations of Conformationally Flexible Chiral Donor-Acceptor Dyad

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Circular Dichroism and Magnetic Circular Dichroism of Nitrogenase Proteins

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
1979English

Optimization of Materials With Time-Dependent Density Functional Theory

Acta Crystallographica Section A Foundations of Crystallography
2011English

Conserving Approximations in Time-Dependent Density Functional Theory

Physical Review B
2005English

Electron Dynamics With Real-Time Time-Dependent Density Functional Theory

International Journal of Quantum Chemistry
Condensed Matter PhysicsMolecular Physics,Theoretical ChemistryAtomicOpticsPhysical
2016English

Theoretical Studies on Magnetic Circular Dichroism by the Finite Perturbation Method With Relativistic Corrections

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2005English

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