Benjamin G Janesko

34PUBLICATIONS
38CO-AUTHORS
Mathematical aspects of general relativityTheoretical quantum chemistryBiomolecular modelling and designSeparation scienceTheory and design of materials
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Publications (34)

|Aug 28, 2026
Convenient implementation of rung-3.5 density functionals in standard Gaussian-basis codes.

|Aug 03, 2026
Projected-interacting full configuration interaction plus regularized perturbation theory: DFT-inspired wavefunction theory for huge active spaces.

|May 25, 2026
Toward the Engineering of Chameleonicity: Quantum Mechanical Prediction for the Octanol/Water Distributions of Large Flexible Triazine Macrocycles.

|Mar 18, 2026
Predicting Chromatographic Retention Times from Quantum-Chemical Solvation Free Energies: A Pilot Study of Oxysterols.

Benjamin G Janesko, Li Li

|Jul 22, 2025
Toward Validated Quantum Mechanical Workflows Predicting pH-Dependent Properties: Benchmarking Protocols for Conformational Sampling, Model Solvent, Basis Set, Density Functional, and Empirical Corrections.

Donatus A Agbaglo, Minh T N Ho, Michael J Frisch

|Apr 08, 2025
Predicting pK a of flexible polybasic tetra-aza macrocycles.

Tatum K Harvey, Kristof Pota, Magy M Mekhail

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Frequent Collaborators

7 joint publications

Donald G Truhlar

4 joint publications

Giovanni Scalmani

4 joint publications

Pragya Verma

4 joint publications

Eric E Simanek