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H

Hrant P. Hratchian

University of California System

28H-index
142Paper Count
4.2KCitation Count
Published Papers 49
Publication Date
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Excitation/Relaxation Analysis of Electronic Transitions Using Difference Density Natural Orbitals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2026-01-01
err0
PREAI
errBovill, Andrew J.; Abou Taka, Ali; Harb, Hassan; Hratchian, Hrant P.
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Exploring Anomalous Photoelectron Angular Distributions in the Photoelectron Spectra of Gd3O3–: Study of Gd3O2– and Gd3O3– Using Photoelectron Spectroscopy and Density Functional Theory Calculations
errThe Journal of Physical Chemistry A
IF2.8
err2025-12-03
err0
PREAI
errCaleb D. Huizenga; Shivangi Vaish; Christian Dwyer; Ali Abou Taka; Andrew J. Bovill; Lee M. Thompson; Hrant P. Hratchian; Caroline Chick Jarrold
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Generalized Internal Coordinates for Creative Exploration of Interatomic Geometries
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-10-01
err2
PREAI
errMarenich, Aleksandr V.; Brothers, Edward N.; Hratchian, Hrant P.; Frisch, Michael J.
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errSave
Quantifying Design Principles for Light-Emitting Materials with Inverted Singlet-Triplet Energy Gaps
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-05-19
err0
PREAI
errRishi, Varun; Abou Taka, Ali; Hratchian, Hrant P.; McCaslin, Laura M.
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errSave
Photoelectron-remnant interaction effect on remnant wavefunction in low-kinetic energy electron detachment events
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-02-10
err0
PREAI
errKinyua, Adam M.; Hratchian, Hrant P.; Jarrold, Caroline C.; Thompson, Lee M.
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Δ-based composite models for calculating x-ray absorption and emission energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-12
err3
PREAI
errZamani, Abdulrahman Y.; Hratchian, Hrant P.
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Good Vibrations: Calculating Excited-State Frequencies Using Ground-State Self-Consistent Field Models
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-29
err3
errOAAI
errTaka, Ali Abou; Corzo, Hector H.; Pribram-Jones, Aurora; Hratchian, Hrant P.
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Assessing the performance of ?SCF and the diagonal second-order self-energy approximation for calculating vertical core excitation energies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-08-24
err4
errOAAI
errZamani, Abdulrahman Y.; Hratchian, Hrant P.
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errSave
Enhanced Reactivity for Aromatic Bromination via Halogen Bonding with Lactic Acid Derivatives
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2022-06-16
err13
PREAI
errBaker, Sarah I.; Yaghoubi, Mahshid; Bidwell, Samantha L.; Pierce, Savannah L.; Hratchian, Hrant P.; Baxter, Ryan D.
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Comparison of Linear Response Theory, Projected Initial MaximumOverlap Method, and Molecular Dynamics-Based Vibronic Spectra:The Case of Methylene Blue
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-26
err3
PREAI
errAbou Taka, Ali; Lu, Shao-Yu; Gowland, Duncan; Zuehlsdorff, Tim J.; Corzo, Hector H.; Pribram-Jones, Aurora; Shi, Liang; Hratchian, Hrant P.; Isborn, Christine M.
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Using projection operators with maximum overlap methods to simplify challenging self-consistent field optimization
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-12-22
err10
errOAAI
errCorzo, Hector H.; Abou Taka, Ali; Pribram-Jones, Aurora; Hratchian, Hrant P.
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errSave
Versatile New Reagent for Nitrosation under Mild Conditions
errORGANIC LETTERS
IF5
err2021-04-12
err10
PREAI
errGalloway, Jordan D.; Sarabia, Cristian; Fettinger, James C.; Hratchian, Hrant P.; Baxter, Ryan D.
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ΔSCF Dyson orbitals and pole strengths from natural ionization orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-22
err6
errOAAI
errHarb, Hassan; Hratchian, Hrant P.
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errSave
Unveiling the coexistence of cis- and trans-isomers in the hydrolysis of ZrO2: A coupled DFT and high-resolution photoelectron spectroscopy study
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-12-30
err5
errOAAI
errAbou Taka, Ali; Babin, Mark C.; Sheng, Xianghai; DeVine, Jessalyn A.; Neumark, Daniel M.; Hratchian, Hrant P.
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Assessing the Calculation of Exchange Coupling Constants and Spin Crossover Gaps Using the Approximate Projection Model To Improve Density Functional Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-11-19
err7
errOAAI
errSheng, Xianghai; Thompson, Lee M.; Hratchian, Hrant P.
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errSave
Exceptionally Complex Electronic Structures of Lanthanide Oxides and Small Molecules
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2019-11-08
err24
errOAAI
errMason, Jarrett L.; Harb, Hassan; Topolski, Josey E.; Hratchian, Hrant P.; Jarrold, Caroline Chick
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errSave
Experimental and Theoretical Evidence for Nitrogen-Fluorine Halogen Bonding in Silver-Initiated Radical Fluorinations
errACS CATALYSIS
IF13.1
err2019-03-12
err37
errOAAI
errHua, Alyssa M.; Bidwell, Samantha L.; Baker, Sarah I.; Hratchian, Hrant P.; Baxter, Ryan D.
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errSave
Dispersion-Controlled Regioselective Acid-Catalyzed Intramolecular Hydroindolation of cis-Methindolylstyrenes To Access Tetrahydrobenzo[cd]indoles
errORGANIC LETTERS
IF5
err2019-02-26
err13
errOAAI
errCai, Xiao; Tohti, Anargul; Ramirez, Cristian; Harb, Hassan; Fettinger, James C.; Hratchian, Hrant P.; Stokes, Benjamin J.
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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
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-08-07
err19
errOAAI
errTopolski, Josey E.; Kafader, Jared O.; Marrero-Colon, Vicmarie; Iyengar, Srinivasan S.; Hratchian, Hrant P.; Jarrold, Caroline Chick
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errSave
High-resolution photoelectron spectroscopy of TiO3H2-: Probing the TiO2- + H2O dissociative adduct
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-02-21
err26
PREAI
errDeVine, Jessalyn A.; Abou Taka, Ali; Babin, Mark C.; Weichman, Marissa L.; Hratchian, Hrant P.; Neumark, Daniel M.
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Research Directions

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Co-authors
Cooperation Journals
M
Michael J. Frisch
H-index: 98 · Papers: 354
H
H. Bernhard Schlegel
H-index: 93 · Papers: 612
K
Krishnan Raghavachari
H-index: 92 · Papers: 489
C
Carlo Adamo
H-index: 87 · Papers: 584
D
Daniel M. Neumark
H-index: 83 · Papers: 784
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