Jan M. L. Martin

Research interests

Publications

• Minimally Empirical Double-Hybrid Functionals Trained against the GMTKN55 Database: revDSD-PBEP86-D4, revDOD-PBE-D4, and DOD-SCAN-D4

  The Journal of Physical Chemistry A · 2019 · 10.1021/acs.jpca.9b03157

• The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory

  Physical Chemistry Chemical Physics · 2016 · 10.1039/c6cp00688d

• Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory

  Journal of Chemical Theory and Computation · 2015 · 10.1021/ct501129s

• Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?

  The Journal of Physical Chemistry A · 2014 · 10.1021/jp508422u

• Spin‐component‐scaled double hybrids: An extensive search for the best fifth‐rung functionals blending DFT and perturbation theory

  Journal of Computational Chemistry · 2013 · 10.1002/jcc.23391

• Halogen Bonds: Benchmarks and Theoretical Analysis

  Journal of Chemical Theory and Computation · 2013 · 10.1021/ct301064t

• Explicitly correlated Wn theory: W1-F12 and W2-F12

  The Journal of Chemical Physics · 2012 · 10.1063/1.3697678

• “Turning Over” Definitions in Catalytic Cycles

  ACS Catalysis · 2012 · 10.1021/cs3005264

• W4-11: A high-confidence benchmark dataset for computational thermochemistry derived from first-principles W4 data

  Chemical Physics Letters · 2011 · 10.1016/j.cplett.2011.05.007

• DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections

  Physical Chemistry Chemical Physics · 2011 · 10.1039/c1cp22592h

• DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction

  The Journal of Physical Chemistry C · 2010 · 10.1021/jp1070852

• Unrestricted Coupled Cluster and Brueckner Doubles Variations of W1 Theory

  Journal of Chemical Theory and Computation · 2009 · 10.1021/ct900260g

• Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics

  The Journal of Physical Chemistry A · 2008 · https://doi.org/10.1021/jp801805p

• Double-Hybrid Functionals for Thermochemical Kinetics

  The Journal of Physical Chemistry A · 2007 · 10.1021/jp710179r

• W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

  The Journal of Chemical Physics · 2006 · 10.1063/1.2348881

• Benchmark Study of DFT Functionals for Late-Transition-Metal Reactions

  The Journal of Physical Chemistry A · 2005 · 10.1021/jp054449w

• IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

  Journal of Physical and Chemical Reference Data · 2005 · 10.1063/1.1724828

• Development of density functionals for thermochemical kinetics

  The Journal of Chemical Physics · 2004 · https://doi.org/10.1063/1.1774975

• Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities

  The Journal of Chemical Physics · 2001 · 10.1063/1.1356014

• Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: the atoms Ga-Kr and In-Xe

  CERN Document Server (European Organization for Nuclear Research) · 2001

• Ab initio total atomization energies of small molecules — towards the basis set limit

  Chemical Physics Letters · 1996 · https://doi.org/10.1016/0009-2614(96)00898-6

• The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

  The Journal of Chemical Physics · 1995 · 10.1063/1.469681

• Topographic mapping using radar interferometry: processing techniques

  IEEE Transactions on Geoscience and Remote Sensing · 1993 · 10.1109/36.210464

• Theory and design of interferometric synthetic aperture radars

  IEE Proceedings F Radar and Signal Processing · 1992 · https://doi.org/10.1049/ip-f-2.1992.0018

• Intensity images and statistics from numerical simulation of wave propagation in 3-D random media

  Applied Optics · 1988 · 10.1364/ao.27.002111

Current projects

No projects listed.