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Lista de obras de Benjamin G Janesko

A new triazine bearing a pyrazolone group capable of copper, nickel, and zinc chelation.

artículo científico publicado en 2018

Adiabatic projection: Bridging <i>ab initio</i>, density functional, semiempirical, and embedding approximations

artículo científico publicado en 2022

An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps

scientific article published on 12 September 2018

Attractive Nonbonded Interactions Help Stabilize the Z Form of Alkenyl Anions

artículo científico publicado en 2018

Calculation of magnetic properties with density functional approximations including rung 3.5 ingredients

scientific article published on 01 October 2020

Comparative Study of Nonhybrid Density Functional Approximations for the Prediction of 3d Transition Metal Thermochemistry

artículo científico publicado en 2017

Long-range-corrected Rung 3.5 density functional approximations.

artículo científico publicado en 2018

M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases

scientific article published on 03 April 2020

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

scientific article published on 05 August 2019

Nonlocal rung-3.5 correlation from the density matrix expansion: Flat-plane condition, thermochemistry, and kinetics

artículo científico publicado en 2020

Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game

artículo científico publicado en 2017

Predicting ion mobility collision cross sections directly from standard quantum chemistry software

artículo científico publicado en 2018

Quantum Chemical Fragment Precursor Tests: Accelerating de novo annotation of tandem mass spectra.

artículo científico publicado en 2017

Reducing density-driven error without exact exchange

artículo científico publicado en 2017

Testing Exact Upper Bounds to Exact Exchange.

artículo científico publicado en 2017

Tunable model promoters in DFT simulations of catalysts

artículo científico publicado en 2019

When Hartree-Fock exchange admixture lowers DFT-predicted barrier heights: Natural bond orbital analyses and implications for catalysis

scientific article published on 01 June 2018

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