List of works - Paul M Zimmerman

5,10-Dimesityldiindeno[1,2-:2',1'-]phenanthrene: a stable biradicaloid derived from Chichibabin's hydrocarbon

scientific article published on 07 February 2019

Calculation of spin-orbit couplings using RASCI spinless one-particle density matrices: Theory and applications

scientific article published on 01 December 2020

Catalytic Carbonyl-Olefin Metathesis of Aliphatic Ketones: Iron(III) Homo-Dimers as Lewis Acidic Superelectrophiles

scientific article published on 16 January 2019

Charge transfer via spin flip configuration interaction: Benchmarks and application to singlet fission

scientific article published in 2020

Chemoenzymatic o-Quinone Methide Formation

scientific article published on 16 December 2019

Coupled double triplet state in singlet fission

scientific article published on 01 December 2018

Discovery of conical intersection mediated photochemistry with growing string methods

scientific article published on 01 November 2018

Enacting Two-Electron Transfer from a Double-Triplet State of Intramolecular Singlet Fission

scientific article published on 14 May 2018

Evaluation of full valence correlation energies and gradients

scientific article published on 01 June 2019

Exact exchange-correlation potentials from ground-state electron densities

scientific article published on 03 October 2019

Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction

scientific article published on 23 February 2018

Fluoride Migration Catalysis Enables Simple, Stereoselective, and Iterative Glycosylation

scientific article published on 01 April 2020

Fully variational incremental CASSCF

scientific article published on 01 January 2021

Functionalized and Degradable Polyphthalaldehyde Derivatives

scientific article published on 04 September 2019

Hydroxyl Radical-Coupled Electron-Transfer Mechanism of Flavin-Dependent Hydroxylases

scientific article published on 18 September 2019

Incremental full configuration interaction

scientific article published in March 2017

Interrupted carbonyl-olefin metathesis via oxygen atom transfer

scientific article published on 01 September 2018

Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

scientific article published on 15 November 2023

Learning To Predict Reaction Conditions: Relationships between Solvent, Molecular Structure, and Catalyst

scientific article published on 19 August 2019

Ligand-Induced Reductive Elimination of Ethane from Azopyridine Palladium Dimethyl Complexes

scientific article published on 30 August 2018

New Direct Approach for Determining the Reverse Intersystem Crossing Rate in Organic Thermally Activated Delayed Fluorescent (TADF) Emitters

scientific article published on 15 April 2020

Nickel-Catalyzed Three-Component Cycloadditions of Enoates, Alkynes, and Aldehydes

scientific article published on 14 February 2020

Predicting and Controlling Entangled Two-Photon Absorption in Diatomic Molecules

scientific article published on 09 October 2018

Predicting reaction conditions from limited data through active transfer learning

scientific article published in 2022

Quantum Chemical Investigation of Dimerization in the Schlenk Equilibrium of Thiophene Grignard Reagents

scientific article published on 18 February 2020

Recovering dynamic correlation in spin flip configuration interaction through a difference dedicated approach

scientific article published on 01 January 2017

Strong correlation in incremental full configuration interaction.

scientific article published in June 2017

The Mechanics of the Bicycle Pedal Photoisomerization in Crystalline cis,cis-1,4-Diphenyl-1,3-butadiene

scientific article published on 16 October 2020

The numerical evaluation of Slater integrals on graphics processing units

scientific article published on 21 July 2022

Uncovering reaction sequences on surfaces through graphical methods.

scientific article published on 2 March 2018

Virtual Screening of Hole Transport, Electron Transport, and Host Layers for Effective OLED Design

scientific article published on 16 July 2018

What Does the Machine Learn? Knowledge Representations of Chemical Reactivity

scientific article published on 03 March 2020

List of works by Paul M Zimmerman