pith. sign in

Jan M.L. Martin

Identifiers

  • name variant Jan M.L. Martin 0.60 · backfill

Papers (27)

  1. The S66 noncovalent interactions benchmark reconsidered using explicitly correlated methods near the basis set limit physics.chem-ph · 2017 · author #4
  2. MP2-F12 Basis Set Convergence for the S66 Noncovalent Interactions Benchmark: Transferability of the Complementary Auxiliary Basis Set (CABS) physics.chem-ph · 2017 · author #3
  3. Surprising Performance for Vibrational Frequencies of the Distinguishable Clusters with Singles and Doubles (DCSD) and MP2.5 Approximations physics.chem-ph · 2017 · author #3
  4. Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled? physics.chem-ph · 2016 · author #4
  5. Comment on: Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 (J. Chem. Phys. 136, 174103 (2012)) physics.chem-ph · 2015 · author #3
  6. Performance of W4 theory for spectroscopic constants and electrical properties of small molecules physics.chem-ph · 2010 · author #2
  7. Performance of ab initio and density functional methods for conformational equilibria of CnH2n+2 alkane isomers (n=2-8) physics.chem-ph · 2009 · author #3
  8. Benchmark thermochemistry of the C_nH_{2n+2} alkane isomers (n=2--8) and performance of DFT and composite ab initio methods for dispersion-driven isomeric equilibria physics.chem-ph · 2009 · author #3
  9. The lowest singlet-triplet excitation energy of BN: a converged coupled cluster perspective physics.chem-ph · 2006 · author #2
  10. W1 and W2 Theories, and Their Variants: Thermochemistry in the kJ/mol Accuracy Range physics.chem-ph · 2005 · author #1
  11. Vibrational Spectra of the Azabenzenes Revisited: Anharmonic Force Fields physics.chem-ph · 2003 · author #2
  12. W3 theory: robust computational thermochemistry in the kJ/mol accuracy range physics.chem-ph · 2003 · author #4
  13. From ab initio quantum chemistry to molecular dynamics: The delicate case of hydrogen bonding in ammonia physics.chem-ph · 2003 · author #3
  14. The heats of formation of the haloacetylenes XCCY [X, Y = H, F, Cl]: basis set limit ab initio results and thermochemical analysis physics.chem-ph · 2001 · author #2
  15. Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities physics.chem-ph · 2001 · author #2
  16. Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: the atoms Ga-Kr and In-Xe physics.chem-ph · 2000 · author #1
  17. Benchmark {\em ab initio} energy profiles for the gas-phase S$_N$2 reactions Y$^-$ + CH$_3$X $\to$ CH$_3$Y + X$^-$ (X,Y = F,Cl,Br). Validation of hybrid DFT methods physics.chem-ph · 2000 · author #3
  18. On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets physics.chem-ph · 2000 · author #1
  19. A fully {\it ab initio} potential curve of near-spectroscopic quality for the OH^- anion: importance of connected quadruple excitations and scalar relativistic effects physics.chem-ph · 2000 · author #1
  20. The heat of atomization of sulfur trioxide, SO$_3$ - a benchmark for computational thermochemistry physics.chem-ph · 1999 · author #1
  21. Accurate ab initio anharmonic force field and heat of formation for silane, SiH_4 physics.chem-ph · 1999 · author #1
  22. A definitive heat of vaporization of silicon through benchmark ab initio calculations on SiF_4 physics.chem-ph · 1999 · author #1
  23. Electron affinities of the first- and second- row atoms: benchmark ab initio and density functional calculations physics.chem-ph · 1999 · author #2
  24. The ground-state spectroscopic constants of Be_2 revisited physics.chem-ph · 1999 · author #1
  25. Benchmark ab initio thermochemistry of the isomers of diimide, N_2H_2, using accurate computed structures and anharmonic force fields physics.chem-ph · 1998 · author #1
  26. Ab initio thermochemistry beyond chemical accuracy for first-and second-row compounds physics.chem-ph · 1998 · author #1
  27. A fully ab initio quartic force field of spectroscopic quality for SO_3 physics.chem-ph · 1998 · author #1

Mentions

  • 1510.06019 #3 · backfill · confidence 0.70 Jan M.L. Martin
  • 1008.4163 #2 · backfill · confidence 0.70 Jan M.L. Martin
  • 0907.3110 #3 · backfill · confidence 0.70 Jan M.L. Martin
  • 0905.3271 #3 · backfill · confidence 0.70 Jan M.L. Martin

Frequent Coauthors