Benjamin G. Janesko

Benjamin G. Janesko

Texas Christian University

H-index: 39

North America-United States

About Benjamin G. Janesko

Benjamin G. Janesko, With an exceptional h-index of 39 and a recent h-index of 27 (since 2020), a distinguished researcher at Texas Christian University, specializes in the field of Computational chemistry, electronic structure theory.

His recent articles reflect a diverse array of research interests and contributions to the field:

Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?

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

Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization

Barrier Heights for Diels–Alder Transition States Leading to Pentacyclic Adducts: A Benchmark Study of Crowded, Strained Transition States of Large Molecules

Core-Projected Hybrids Fix Systematic Errors in Time-Dependent Density Functional Theory Predicted Core-Electron Excitations

Deriving Extended DFT+ U From Multiconfigurational Wavefunction Theory

M11pz: A Nonlocal Meta Functional with Zero Hartree–Fock Exchange and with Broad Accuracy for Chemical Energies and Structures

Reimagining the Wave Function in Density Functional Theory: Exploring Strongly Correlated States in Pancake-Bonded Radical Dimers

Benjamin G. Janesko Information

University

Position

___

Citations(all)

24999

Citations(since 2020)

18814

Cited By

5864

hIndex(all)

39

hIndex(since 2020)

27

i10Index(all)

90

i10Index(since 2020)

55

Email

University Profile Page

Google Scholar

Benjamin G. Janesko Skills & Research Interests

Computational chemistry

electronic structure theory

Top articles of Benjamin G. Janesko

Title

Journal

Author(s)

Publication Date

Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?

Journal of the American Chemical Society

Hanwei Li

Maryam Mansoori Kermani

Alistar Ottochian

Orlando Crescenzi

Benjamin G Janesko

...

2024/2/27

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

Mohammad Esmail Alikhani

Benjamin G Janesko

2024

Projected Hybrid Density Functionals: Method and Application to Core Electron Ionization

Journal of Chemical Theory and Computation

Benjamin G Janesko

2023/1/19

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

Maryam Mansoori Kermani

Hanwei Li

Alistar Ottochian

Orlando Crescenzi

Benjamin G Janesko

...

2023/7/14

Core-Projected Hybrids Fix Systematic Errors in Time-Dependent Density Functional Theory Predicted Core-Electron Excitations

Journal of Chemical Theory and Computation

Benjamin G Janesko

2023/7/12

Deriving Extended DFT+ U From Multiconfigurational Wavefunction Theory

arXiv preprint arXiv:2305.07736

Benjamin G Janesko

2023/5/12

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

Siriluk Kanchanakungwankul

Pragya Verma

Benjamin G Janesko

Giovanni Scalmani

Michael J Frisch

...

2023/12/14

Reimagining the Wave Function in Density Functional Theory: Exploring Strongly Correlated States in Pancake-Bonded Radical Dimers

The Journal of Physical Chemistry A

Luis Rizo

Benjamin G Janesko

2023/4/13

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

Edward N Brothers

Ashfaq A Bengali

Giovanni Scalmani

Benjamin G Janesko

Pragya Verma

...

2023/11/8

Computational and Experimental Evidence for Templated Macrocyclization: The Role of a Hydrogen Bond Network in the Quantitative Dimerization of 24-Atom Macrocycles

Molecules

Alexander J Menke

Nicholas C Henderson

Lola C Kouretas

Anne N Estenson

Benjamin G Janesko

...

2023/1/23

Controlling Swing Rates in Macrocyclic Molecular Mortise Hinges

Chemistry–A European Journal

Alexander J Menke

Joseph M Mellberg

Hongjun Pan

Joseph H Reibenspies

Benjamin G Janesko

...

2023/8/4

Systematically improvable generalization of self-interaction corrected density functional theory

The Journal of Physical Chemistry Letters

Benjamin G Janesko

2022/6/16

Unification of Perdew–Zunger self-interaction correction, DFT+ U, and Rung 3.5 density functionals

The Journal of Chemical Physics

Benjamin G Janesko

2022/10/21

Adiabatic projection: Bridging ab initio, density functional, semiempirical, and embedding approximations

The Journal of Chemical Physics

Benjamin G Janesko

2022/1/7

Density Functional Theory for Transition Metal Catalysis

Benjamin G Janesko

2022/1/1

Benchmarking time‐dependent density functional theory predictions of emission spectra and CIE color: A rainbow of error

International Journal of Quantum Chemistry

Benjamin G Janesko

2022/10/15

Well-Tempered Metadynamics Simulations Predict the Structural and Dynamic Properties of a Chiral 24-Atom Macrocycle in Solution

ACS omega

Riccardo Capelli

Alexander J Menke

Hongjun Pan

Benjamin G Janesko

Eric E Simanek

...

2022/8/8

Virtual experiments on real asphaltenes: Predicting properties using quantum chemical simulations of structures from non-contact atomic force microscopy

Energy & Fuels

Benjamin G Janesko

Edward N Brothers

2022/6/22

Mechanistic insights into iron-catalyzed C–H bond activation and C–C coupling

Organometallics

Samantha M Brewer

Timothy M Schwartz

Magy A Mekhail

Lara S Turan

Timothy J Prior

...

2021/7/20

Replacing hybrid density functional theory: motivation and recent advances

Benjamin G Janesko

2021

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