Search filters

List of works by David H. Bross

A combined photoelectron spectroscopy and relativistic ab initio studies of the electronic structures of UFO and UFO(-).

scientific article published in February 2016

A vacuum ultraviolet laser pulsed field ionization-photoion study of methane (CH4): determination of the appearance energy of methylium from methane with unprecedented precision and the resulting impact on the bond dissociation energies of CH4 and C

scientific article

Active Thermochemical Tables: The Adiabatic Ionization Energy of Hydrogen Peroxide

scientific article published on 7 September 2017

Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited

scientific article published on 07 May 2019

An Automated Thermochemistry Protocol Based on Explicitly Correlated Coupled-Cluster Theory: The Methyl and Ethyl Peroxy Families

scientific article published on 18 June 2019

Composite thermochemistry of gas phase U(VI)-containing molecules

scientific article published on 01 December 2014

Enthalpy of Formation of C2H2O4 (Oxalic Acid) from High-Level Calculations and the Active Thermochemical Tables Approach

scientific article published on 10 April 2019

Enthalpy of Formation of N2H4 (Hydrazine) Revisited.

scientific article published on 20 July 2017

Explicitly correlated composite thermochemistry of transition metal species.

scientific article published in September 2013

High-accuracy extrapolated ab initio thermochemistry. IV. A modified recipe for computational efficiency

scientific article published on 01 June 2019

Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom

scientific article published on 01 November 2015

Theoretical spectroscopy study of the low-lying electronic states of UX and UX(+), X = F and Cl

scientific article published on 01 November 2015

Thermal Decomposition of Potential Ester Biofuels. Part I: Methyl Acetate and Methyl Butanoate

scientific article

Unimolecular Reaction of Methyl Isocyanide to Acetonitrile: A High-Level Theoretical Study.

scientific article published on 26 April 2018