Benjamin G Janesko

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 29

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

The journal of physical chemistry. A

Texas Christian University

Carnegie Mellon University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Texas Christian University

United States

Assistant Professor :: Chemistry

Education History

Carnegie Mellon University Jan 10 2001 - May 05 2005

United States

PHD :: Chemistry

Allegheny College Aug 15 1995 - May 10 1999

United States

BSC :: Chemistry

Publications

Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Donald G Truhlar, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry? Journal of the American Chemical Society (2024)
Hanwei Li, Maryam Mansoori Kermani, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Donald G Truhlar, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry? Journal of the American Chemical Society 146 (10) (2024)
Mohammad Esmail Alikhani, Benjamin G Janesko
A two-electron reducing reaction of CO 2 to an oxalate anion: a theoretical study of delocalized (presolvated) electrons in Al(CH 3 ) n (NH 3 ) m , n = 0-2 and m = 1-6, clusters. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Benjamin G Janesko
Multiconfigurational Correlation at DFT + U Cost: On-Site Electron-Electron Interactions Yield a Block-Localized Configuration Interaction Hamiltonian. The journal of physical chemistry. A (2024)
Mohammad Esmail Alikhani, Benjamin G Janesko
A two-electron reducing reaction of CO 2 to an oxalate anion: a theoretical study of delocalized (presolvated) electrons in Al(CH 3 ) n (NH 3 ) m , n = 0-2 and m = 1-6, clusters. Physical chemistry chemical physics : PCCP (2024)
Benjamin G Janesko
Multiconfigurational Correlation at DFT + U Cost: On-Site Electron-Electron Interactions Yield a Block-Localized Configuration Interaction Hamiltonian. The journal of physical chemistry. A 128 (25) (2024)
Mohammad Esmail Alikhani, Benjamin G Janesko
A two-electron reducing reaction of CO 2 to an oxalate anion: a theoretical study of delocalized (presolvated) electrons in Al(CH 3 ) n (NH 3 ) m , n = 0-2 and m = 1-6, clusters. Physical chemistry chemical physics : PCCP 26 (8) (2024)
Benjamin G Janesko
Core-Projected Hybrids Fix Systematic Errors in Time-Dependent Density Functional Theory Predicted Core-Electron Excitations. Journal of chemical theory and computation (2023)
Edward N Brothers, Ashfaq A Bengali, Giovanni Scalmani, Benjamin G Janesko, Pragya Verma, Donald G Truhlar, Michael J Frisch
Comparing Density Functional Theory Metal-Ligand Bond Dissociation Enthalpies with Experimental Solution-Phase Enthalpies of Activation for Bond Dissociation. The journal of physical chemistry. A (2023)
Benjamin G Janesko
Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization. Journal of chemical theory and computation (2023)
Siriluk Kanchanakungwankul, Pragya Verma, Benjamin G Janesko, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar
M11pz: A Nonlocal Meta Functional with Zero Hartree-Fock Exchange and with Broad Accuracy for Chemical Energies and Structures. Journal of chemical theory and computation (2023)
Benjamin G Janesko
Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization. Journal of chemical theory and computation 19 (3) (2023)
Maryam Mansoori Kermani, Hanwei Li, Alistar Ottochian, Orlando Crescenzi, Benjamin G Janesko, Giovanni Scalmani, Michael J Frisch, Ilaria Ciofini, Carlo Adamo, Donald G Truhlar
Barrier Heights for Diels-Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules. The journal of physical chemistry letters (2023)
Luis Rizo, Benjamin G Janesko
Reimagining the Wave Function in Density Functional Theory: Exploring Strongly Correlated States in Pancake-Bonded Radical Dimers. The journal of physical chemistry. A (2023)
Benjamin G Janesko
Systematically Improvable Generalization of Self-Interaction Corrected Density Functional Theory. The journal of physical chemistry letters 13 (25) (2022)
Riccardo Capelli, Alexander J Menke, Hongjun Pan, Benjamin G Janesko, Eric E Simanek, Giovanni M Pavan
Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution. ACS omega 7 (34) (2022)
Chloe Ramos, Jeremiah Muehlbrad, Benjamin G Janesko
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. Journal of computational chemistry 42 (27) (2021)
Samantha M Brewer, Timothy M Schwartz, Magy A Mekhail, Lara S Turan, Timothy John Prior, Timothy J Hubin, Benjamin G Janesko, Kayla N Green
Mechanistic Insights into Iron-Catalyzed C-H Bond Activation and C-C Coupling. Organometallics 40 (15) (2021)
Benjamin G Janesko, Pragya Verma, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar
M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases. The journal of physical chemistry letters 11 (8) (2020)
Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko
Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients. The Journal of chemical physics 153 (16) (2020)
Vishal R Sharma, Arshad Mehmood, Benjamin G Janesko, Eric E Simanek
Efficient syntheses of macrocycles ranging from 22-28 atoms through spontaneous dimerization to yield bis-hydrazones. RSC advances 10 (6) (2020)
Andrew Mahler, Kassidy Panno, Benjamin G Janesko, Salvador Moncho, Edward N Brothers
Tunable model promoters in DFT simulations of catalysts. Journal of computational chemistry 40 (19) (2019)
Pragya Verma, Benjamin G Janesko, Ying Wang, Xiao He, Giovanni Scalmani, Michael J Frisch, Donald G Truhlar
M11plus: A Range-Separated Hybrid Meta Functional with Both Local and Rung-3.5 Correlation Terms and High Across-the-Board Accuracy for Chemical Applications. Journal of chemical theory and computation 15 (9) (2019)
Arshad Mehmood, Stephanie I Jones, Peng Tao, Benjamin G Janesko
An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps. Journal of chemical information and modeling 58 (9) (2018)
Benjamin G Janesko, Hector Villegas
Attractive Nonbonded Interactions Help Stabilize the Z Form of Alkenyl Anions. The Journal of organic chemistry 83 (15) (2018)
Benjamin G Janesko
Reducing density-driven error without exact exchange. Physical chemistry chemical physics : PCCP 19 (6) (2018)
Emil Proynov, Benjamin G Janesko
Testing Exact Upper Bounds to Exact Exchange. Journal of chemical theory and computation 13 (5) (2017)
Benjamin G Janesko, Emil Proynov, Jing Kong, Giovanni Scalmani, Michael J Frisch
Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game. The journal of physical chemistry letters 8 (17) (2017)
John J Determan, Katelyn Poole, Giovanni Scalmani, Michael J Frisch, Benjamin G Janesko, Angela K Wilson
Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry. Journal of chemical theory and computation 13 (10) (2017)

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Publication Activity (10 Years)

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Benjamin G Janesko