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Benjamin G. Janesko

texas christian university

34H-index
203Paper Count
4.6KCitation Count
Published Papers 84
Publication Date
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Toward the Engineering of Chameleonicity: Quantum Mechanical Prediction for the Octanol/Water Distributions of Large Flexible Triazine Macrocycles
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-25
err0
errOAAI
errDonatus A. Agbaglo; Alejandro Muñoz; Benjamin G. Janesko
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Predicting Chromatographic Retention Times from Quantum-Chemical Solvation Free Energies: A Pilot Study of Oxysterols
errJournal of Physical Chemistry A
IF2.8
err2026-03-01
err0
errOAAI
errJanesko, Benjamin G.; Li, Li
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Benchmarking a Computational Workflow Modeling Near-Infrared-Emitting Graphene Quantum Dots
errJournal of Physical Chemistry C
IF3.2
err2026-03-01
err0
PREAI
errAli, Muhammad Hammad; Janesko, Benjamin G.; Rana, Md Masud; Saleem, Umar; Gajula, Naga Mani
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Hormone/Neurotransmitter Detection with NIR-Emissive Graphene Quantum Dots Enabled by AI-Assisted Spectral Recognition
errACS Applied Nano Materials
IF5.5
err2026-02-23
err0
errOAAI
errPramita Sharma; Ruhani Ahluwalia; Ibrahim E. Bozkurt; Ugur Can Topkiran; Alyssa Dickens; Alina Valimukhametova; Donatus A. Agbaglo; John Brannon; Benjamin G. Janesko; Yuri Strzhemechny; Anton V. Naumov
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Identifying Oxysterols Associated With Age and Diet in Mice Using Optimized Reversed-phase Liquid Chromatography-Mass Spectrometry (RPLC-MS)
errJOURNAL OF SEPARATION SCIENCE
IF2.8
err2025-09-29
err0
errOAAI
errSubramaniyan, Indhumathy; Barr, Benjamin; La-Beck, Ninh M.; Janesko, Benjamin G.; Gollahon, Lauren; Li, Li
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Toward Validated Quantum Mechanical Workflows Predicting pH-Dependent Properties: Benchmarking Protocols for Conformational Sampling; Model Solvent; Basis Set; Density Functional; and Empirical Corrections
errThe Journal of Physical Chemistry A
IF0
err2025-07-22
err0
PREAI
errDonatus A. Agbaglo; Minh T. N. Ho; Michael J. Frisch; Benjamin G. Janesko
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Local hybrid alternatives to the orbital density approximation reduce the orbital dependence of self-interaction corrected DFT and the overbinding of DFT-corrected correlated wavefunctions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-21
err0
PREAI
errJanesko, Benjamin G.
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Predicting pKa of flexible polybasic tetra-aza macrocycles
errRSC ADVANCES
IF4.6
err2025-01-01
err0
errOAAI
errHarvey, Tatum K.; Pota, Kristof; Mekhail, Magy M.; Freire, David M.; Agbaglo, Donatus A.; Janesko, Benjamin G.; Green, Kayla N.
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Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-02-27
err2
errOAAI
errLi, Hanwei; Kermani, Maryam Mansoori; Ottochian, Alistar; Crescenzi, Orlando; Janesko, Benjamin G.; Truhlar, Donald G.; Scalmani, Giovanni; Frisch, Michael J.; Ciofini, Ilaria; Adamo, Carlo
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M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and Structures
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-14
err2
PREAI
errKanchanakungwankul, Siriluk; Verma, Pragya; Janesko, Benjamin G.; Scalmani, Giovanni; Frisch, Michael J.; Truhlar, Donald G.
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Core-Projected Hybrids Fix Systematic Errors in Time-Dependent Density Functional Theory Predicted Core-Electron Excitations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-12
err2
PREAI
errJanesko, Benjamin G.
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Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2023-07-07
err5
errOAAI
errMenke, Alexander J.; Mellberg, Joseph M.; Pan, Hongjun; Reibenspies, Joseph H.; Janesko, Benjamin G.; Simanek, Eric E.
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Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles
errMOLECULES
IF4.6
err2023-01-23
err7
errOAAI
errMenke, Alexander J.; Henderson, Nicholas C.; Kouretas, Lola C.; Estenson, Anne N.; Janesko, Benjamin G.; Simanek, Eric E.
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Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-01-19
err11
errOAAI
errJanesko, Benjamin G.
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Unification of Perdew-Zunger self-interaction correction, DFT plus U, and Rung 3.5 density functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-18
err4
errOAAI
errJanesko, Benjamin G.
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Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution
errACS OMEGA
IF4.3
err2022-08-08
err12
errOAAI
errCapelli, Riccardo; Menke, Alexander J.; Pan, Hongjun; Janesko, Benjamin G.; Simanek, Eric E.; Pavan, Giovanni M.
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Adiabatic projection: Bridging ab initio, density functional, semiempirical, and embedding approximations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-04
err6
PREAI
errJanesko, Benjamin G.
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Density functionals with full nonlocal exchange, nonlocal rung-3.5 correlation, and D3 dispersion: Combined accuracy for general main-group thermochemistry, kinetics, and noncovalent interactions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-08-13
err2
PREAI
errRamos, Chloe; Muehlbrad, Jeremiah; Janesko, Benjamin G.
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Nonlocal rung-3.5 correlation from the density matrix expansion: Flat-plane condition, thermochemistry, and kinetics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-28
err3
PREAI
errRamos, Chloe; Janesko, Benjamin G.
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Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-10-22
err1
PREAI
errScalmani, Giovanni; Frisch, Michael J.; Janesko, Benjamin G.
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Research Directions

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Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
K
Krzysztof Matyjaszewski
H-index: 183 · Papers: 1.8K
N
Naomi J. Halas
H-index: 155 · Papers: 602
G
Georg Kresse
H-index: 128 · Papers: 503
G
Gustavo E. Scuseria
H-index: 125 · Papers: 748
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