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List of works by Mark T Oakley

A sequential molecular mechanics/quantum mechanics study of the electronic spectra of amides.

scientific article published in October 2004

Additive and nonadditive models of vapor-liquid equilibrium in CO2 from first principles

scientific article published in January 2009

Aromatic 4-tetrahydropyranyl and 4-quinuclidinyl cations. Linking Prins with Cope and Grob

scientific article published in May 2002

Calculations on the electronic excited states of ureas and oligoureas

scientific article published on 03 March 2007

Charge-transfer transitions in protein circular dichroism calculations

scientific article published in September 2006

Chiral effects on helicity studied via the energy landscape of short (D, L)-alanine peptides

scientific article published on 01 October 2015

Computational and experimental investigations into the conformations of cyclic tetra-α/β-peptides.

scientific article published in July 2013

Energy Landscapes and Global Optimization of Self-Assembling Cyclic Peptides

scientific article published on 01 April 2014

Energy landscape and global optimization for a frustrated model protein ⬇️

scientific article published on 09 September 2011

Exploring the Energy Landscapes of Cyclic Tetrapeptides with Discrete Path Sampling ⬇️

scientific article published on November 5, 2012

First principles predictions of thermophysical properties of refrigerant mixtures

scientific article published in March 2011

First-principles calculations of protein circular dichroism in the far-ultraviolet and beyond.

scientific article

Isomers and Energy Landscapes of Perchlorate-Water Clusters and a Comparison to Pure Water and Sulfate-Water Clusters

scientific article

Lattice models of peptide aggregation: evaluation of conformational search algorithms.

scientific article published in November 2005

Protein structure optimization with a "Lamarckian" ant colony algorithm.

scientific article

Structures and Energy Landscapes of Hydrated Sulfate Clusters

scientific article published on 10 April 2015

Symmetrisation schemes for global optimisation of atomic clusters ⬇️

scientific article published on March 21, 2013

The Azulene-to-Naphthalene Rearrangement Revisited: a DFT Study of Intramolecular and Radical-Promoted Mechanisms ⬇️

scientific article published on May 7, 2003

Visualizing energy landscapes with metric disconnectivity graphs

scientific article

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