List of works - Ross H. McKenzie

A diabatic state model for double proton transfer in hydrogen bonded complexes. ⬇️

scientific article published in September 2014

A first-principles density-functional calculation of the electronic and vibrational structure of the key melanin monomers

scientific article

A two-state model of twisted intramolecular charge-transfer in monomethine dyes ⬇️

scientific article published on October 28, 2012

A unified diabatic description for electron transfer reactions, isomerization reactions, proton transfer reactions, and aromaticity

scientific article published on 01 October 2015

Bond alternation, polarizability, and resonance detuning in methine dyes ⬇️

scientific article published on March 21, 2011

Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model

scientific article published on 20 July 2015

Charge distribution near bulk oxygen vacancies in cerium oxides ⬇️

scientific article published on May 21, 2010

Consistent Description of the Metallic Phase of Overdoped Cuprate Superconductors as an Anisotropic Marginal Fermi Liquid ⬇️

scientific article published on September 26, 2011

Effect of quantum nuclear motion on hydrogen bonding. ⬇️

scientific article published on May 2014

Electron-vibration entanglement in the Born-Oppenheimer description of chemical reactions and spectroscopy

scientific article published on 23 July 2015

Gauge Fields, Geometric Phases, and Quantum Adiabatic Pumps ⬇️

scientific article published on October 31, 2003

Isotopic fractionation in proteins as a measure of hydrogen bond length ⬇️

scientific article published in July 2015

Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections

scientific article published on 21 July 2015

Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges

scientific article published on 6 April 2016

Penrose-Hameroff orchestrated objective-reduction proposal for human consciousness is not biologically feasible

scientific article (publication date: 13 August 2009)

Quantum dynamics of electronic excitations in biomolecular chromophores: role of the protein environment and solvent

scientific article published on 20 March 2008

Sensitivity of the photophysical properties of organometallic complexes to small chemical changes.

scientific article published in September 2010

Signatures of the Berry curvature in the frequency dependent interlayer magnetoresistance in tilted magnetic fields.

scientific article published on 6 February 2014

Spin-0 Mott insulator to metal to spin-1 Mott insulator transition in the single-orbital Hubbard model on the decorated honeycomb lattice

scientific article published on 03 August 2021

Thermodynamics of a bad metal-Mott insulator transition in the presence of frustration.