Martin A. Thomas

Physics and Astronomy · Physical Sciences

22h-index3.7kcitations57works0.02yr avg
OpenAlex↗Google Scholar↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Spectroscopy and Quantum Chemical Studies(11), Phase Equilibria and Thermodynamics(9), Ionic liquids properties and applications(8), Mesoporous Materials and Catalysis(8), Molecular spectroscopy and chirality(8)

Publications57 total

Monitoring of precancerous cervical lesions at colposcopy using a new non-invasive technique
http://isrctn.com/·2022
Collection of cervical cells at colposcopy using a novel technique for analysis of high-risk vs low-risk lesions
http://isrctn.com/·2021
Optimized Atomic Partial Charges and Radii Defined by Radical Voronoi Tessellation of Bulk Phase Simulations
Molecules·2021· 17 citedOpen Access
Computing Bulk Phase Resonance Raman Spectra from ab Initio Molecular Dynamics and Real-Time TDDFT
Journal of Chemical Theory and Computation·2019· 22 cited
An Efficient Lossless Compression Algorithm for Trajectories of Atom Positions and Volumetric Data
Journal of Chemical Information and Modeling·2018· 20 cited
Computing Bulk Phase Raman Optical Activity Spectra from <i>ab initio</i> Molecular Dynamics Simulations
The Journal of Physical Chemistry Letters·2017· 34 cited
Methodological Developments
Springer theses·2016· 2 cited
Applications
Springer theses·2016
Theoretical Background
Springer theses·2016
Theoretical Modeling of Vibrational Spectra in the Liquid Phase
Springer theses·2016· 22 cited
Introduction
Springer theses·2016
Conclusion and Outlook
Springer theses·2016
Can dispersion corrections annihilate the dispersion-driven nano-aggregation of non-polar groups? An <i>ab initio</i> molecular dynamics study of ionic liquid systems
The Journal of Chemical Physics·2016· 14 cited
Classical Magnetic Dipole Moments for the Simulation of Vibrational Circular Dichroism by ab Initio Molecular Dynamics
The Journal of Physical Chemistry Letters·2016· 58 cited
Triphilic Ionic‐Liquid Mixtures: Fluorinated and Non‐fluorinated Aprotic Ionic‐Liquid Mixtures
ChemPhysChem·2015· 138 citedOpen Access
En route formation of ion pairs at the ionic liquid–vacuum interface
Structural Chemistry·2015· 23 citedOpen Access
Domain Analysis in Nanostructured Liquids: A Post‐Molecular Dynamics Study at the Example of Ionic Liquids
ChemPhysChem·2015· 138 citedOpen Access
Femtosecond 2DIR spectroscopy of the nitrile stretching vibration of thiocyanate anions in liquid-to-supercritical heavy water. Spectral diffusion and libration-induced hydrogen-bond dynamics
Physical Chemistry Chemical Physics·2015· 22 cited
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Physical Chemistry Chemical Physics·2014· 128 cited
Simulating the vibrational spectra of ionic liquid systems: 1-Ethyl-3-methylimidazolium acetate and its mixtures
The Journal of Chemical Physics·2014· 94 cited
page 1 of 3Next →

Frequent Co-authors

Joan E. Shields(19), Matthias Thommes(19), S. Lowell(16), Martin Brehm(10), Barbara Kirchner(10), Oldamur Hollóczki(6), S. Lowell(3), Peter Vöhringer(2), Henry Weber(2), Benjamin Schulze(2), Daniel Escudero(2), Christian Friebe(2), Ronald Siebert(2), Helmar Görls(2), Stephan Sinn(2), Sebastian Mai(2), Jürgen Popp(2), Benjamin Dietzek(2), Leticia González(2), Ulrich S. Schubert(2)