List of works - Daniel H Ess

Bifurcations on potential energy surfaces of organic reactions

scientific article published on January 2008

C-O and C-N Functionalization of Cationic, NCN-Type Pincer Complexes of Trivalent Nickel: Mechanism, Selectivity, and Kinetic Isotope Effect

scientific article published on 01 March 2019

Correction to "Practical Singly and Doubly Electrophilic Aminating Agents: A New, More Sustainable Platform for Carbon-Nitrogen Bond Formation"

scientific article published on 06 February 2019

Design and Optimization of Catalysts Based on Mechanistic Insights Derived from Quantum Chemical Reaction Modeling

scientific article published on 08 May 2019

Direct Primary Amination of Alkylmetals with NH-Oxaziridine

scientific article published on 10 December 2018

Dynamical Mechanism May Avoid High-Oxidation State Ir(V)-H Intermediate and Coordination Complex in Alkane and Arene C-H Activation by Cationic Ir(III) Phosphine

scientific article published on 23 August 2018

Introduction: Computational Design of Catalysts from Molecules to Materials

scientific article published on 01 June 2019

Mechanistic molecular motion of transition-metal mediated β-hydrogen transfer: quasiclassical trajectories reveal dynamically ballistic, dynamically unrelaxed, two step, and concerted mechanisms

scientific article published on 03 June 2020

Practical Singly and Doubly Electrophilic Aminating Agents: A New, More Sustainable Platform for Carbon-Nitrogen Bond Formation.

scientific article

Selective C-H Functionalization of Methane and Ethane by a Molecular SbV Complex

scientific article published on 21 January 2019

Semiempirical Peak Fitting Guided by ab Initio Calculations of X-ray Photoelectron Spectroscopy Narrow Scans of Chemisorbed, Fluorinated Silanes

scientific article published on 19 February 2020

Supermetal: SbF5-mediated methane oxidation occurs by C-H activation and isobutane oxidation occurs by hydride transfer

scientific article published on 06 November 2019

Synthesis and Computational Studies Demonstrate the Utility of an Intramolecular Styryl Diels-Alder Reaction and Di-t-butylhydroxytoluene Assisted [1,3]-Shift to Construct Anticancer dl-Deoxypodophyllotoxin.

scientific article published on 17 January 2018

Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles

scientific article published on 14 May 2019

Synthetic investigations of low-coordinate (N-phosphino-amidinate) nickel chemistry: agostic alkyl complexes and benzene insertion into Ni-H

scientific article published on 26 March 2020

Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene