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List of works by David Feller

A theoretical study of the adiabatic and vertical ionization potentials of water

scientific article published on 01 June 2018

Ab Initio Coupled Cluster Determination of the Heats of Formation of C2H2F2, C2F2, and C2F4 ⬇️

scientific article published on 09 February 2011

Anharmonic zero point vibrational energies: Tipping the scales in accurate thermochemistry calculations? ⬇️

scientific article published on January 28, 2013

Benchmarks of improved complete basis set extrapolation schemes designed for standard CCSD(T) atomization energies ⬇️

scientific article published on February 21, 2013

Density Functional Theory and the Basis Set Truncation Problem with Correlation Consistent Basis Sets: Elephant in the Room or Mouse in the Closet?

scientific article published on 23 February 2018

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

Heats of Formation of MHxCly (M = Si, P, As, Sb) Compounds and Main Group Fluorides from High Level Electronic Structure Calculations ⬇️

scientific article published on March 28, 2012

High-Level ab Initio Enthalpies of Formation of 2,5-Dimethylfuran, 2-Methylfuran, and Furan ⬇️

scientific article published on November 14, 2012

Infrared Spectra of CF2═CHD and CF2═CD2: Scaled Quantum-Chemical Force Fields and an Equilibrium Structure for 1,1-Difluoroethylene ⬇️

scientific article published on September 2, 2010

Promise and challenge of high-performance computing, with examples from molecular modelling.

scientific article

Structures and Heats of Formation of Simple Alkaline Earth Metal Compounds: Fluorides, Chlorides, Oxides, and Hydroxides for Be, Mg, and Ca ⬇️

scientific article published on 01 September 2010

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