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List of works by J Coleman Howard

Assessing the accuracy of some popular DFT methods for computing harmonic vibrational frequencies of water clusters

scientific article published on 01 December 2015

Benchmark Structures and Harmonic Vibrational Frequencies Near the CCSD(T) Complete Basis Set Limit for Small Water Clusters: (H2O)n = 2, 3, 4, 5, 6.

scientific article published on 27 April 2015

Calculating Optical Rotatory Dispersion Spectra in Solution Using a Smooth Dielectric Model

scientific article published on 22 October 2018

Dissociation Energy of the H2O···HF Dimer

scientific article published on 14 May 2018

Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory

scientific article published on 2 October 2017

Getting down to the Fundamentals of Hydrogen Bonding: Anharmonic Vibrational Frequencies of (HF)2 and (H2O)2 from Ab Initio Electronic Structure Computations

scientific article published on 01 December 2014

N-body:Many-body QM:QM vibrational frequencies: application to small hydrogen-bonded clusters

scientific article published in November 2013

Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory

scientific article published on 03 July 2018

Structures, Energetics and Vibrational Frequency Shifts of Hydrated Pyrimidine ⬇️

scientific article published on October 12, 2011

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