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List of works by Hrant P. Hratchian

A Tale of Two Stabilities: How One Boron Atom Affects a Switch in Bonding Motifs in CeO2B x- ( x = 2, 3) Complexes

scientific article published on 14 December 2018

Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model To Improve Density Functional Calculations

scientific article published on 03 December 2019

Assessing the performance of ΔSCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies

scientific article published in 2022

Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue

scientific article published on 26 April 2022

Dispersion-Controlled Regioselective Acid-Catalyzed Intramolecular Hydroindolation of cis-Methindolylstyrenes To Access Tetrahydrobenzo[ cd]indoles

scientific article published on 26 February 2019

Electronic and Molecular Structures of the CeB6 Monomer

scientific article published on 01 March 2019

Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules

scientific article published on 08 November 2019

Exotic electronic structures of SmxCe3−xOy (x = 0-3; y = 2-4) clusters and the effect of high neutral density of low-lying states on photodetachment transition intensities

scientific article published on 7 August 2018

Explaining the MoVO4- photoelectron spectrum: Rationalization of geometric and electronic structure.

scientific article published in March 2017

High-resolution photoelectron spectroscopy of TiO3H2−: Probing the TiO2− + H2O dissociative adduct

scientific article published on 01 June 2018

Natural ionization orbitals for interpreting electron detachment processes

scientific article published in May 2016

Second derivatives for approximate spin projection methods

scientific article published in February 2015

Unveiling the coexistence of cis- and trans-isomers in the hydrolysis of ZrO<sub>2</sub>: A coupled DFT and high-resolution photoelectron spectroscopy study

scientific article published on 01 December 2020

Using projection operators with maximum overlap methods to simplify challenging self‐consistent field optimization

scientific article published on 22 December 2021

Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence

scientific article published on 4 August 2022

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