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H

Hrant P. Hratchian

University of California System

28H指数
142论文数
4.2K被引数
收录论文 49
发表时间
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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.
err分享
err收藏
Exploring Anomalous Photoelectron Angular Distributions in the Photoelectron Spectra of Gd3O3–: Study of Gd3O2– and Gd3O3– Using Photoelectron Spectroscopy and Density Functional Theory Calculations探索Gd3O3–光电子谱中异常光电子角分布：使用光电子能谱和密度泛函理论计算对Gd3O2–和Gd3O3–的研究
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
err分享
err收藏
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.
err分享
err收藏
Quantifying Design Principles for Light-Emitting Materials with Inverted Singlet-Triplet Energy Gaps量化具有反转单线态-三线态能隙的光发射材料的设計原则
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-05-19
err0
PREAI
errRishi, Varun; Abou Taka, Ali; Hratchian, Hrant P.; McCaslin, Laura M.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏
Experimental and Theoretical Evidence for Nitrogen-Fluorine Halogen Bonding in Silver-Initiated Radical Fluorinations银引发的自由基氟化中氮-氟卤素键合的实验和理论证据
errACS CATALYSIS
IF13.1
err2019-03-12
err37
errOAAI
errHua, Alyssa M.; Bidwell, Samantha L.; Baker, Sarah I.; Hratchian, Hrant P.; Baxter, Ryan D.
err分享
err收藏
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.
err分享
err收藏
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
err分享
err收藏
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.
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Michael J. Frisch
H 指数: 98 · 论文数: 354
H
H. Bernhard Schlegel
H 指数: 93 · 论文数: 612
K
Krishnan Raghavachari
H 指数: 92 · 论文数: 489
C
Carlo Adamo
H 指数: 87 · 论文数: 584
D
Daniel M. Neumark
H 指数: 83 · 论文数: 784
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