Search filters

List of works by Samuel J Stoneburner

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

scientific article published on 12 March 2020

Design of a metal-organic framework with enhanced back bonding for separation of N₂ and CH₄.

scientific article published on 30 December 2013

MC-PDFT can calculate singlet-triplet splittings of organic diradicals

scientific article published in February 2018

Metal–Organic Frameworks with Metal–Catecholates for O2/N2 Separation

Origin of the Strong Interaction between Polar Molecules and Copper(II) Paddle-Wheels in Metal Organic Frameworks

scientific article published on 27 June 2017

Systematic design of active spaces for multi-reference calculations of singlet-triplet gaps of organic diradicals, with benchmarks against doubly electron-attached coupled-cluster data.

scientific article

Transition Metal Spin-State Energetics by MC-PDFT with High Local Exchange

scientific article published on 03 February 2020

Paulina is supported by:

About Paulina

Help