Jan M.L. Martin
Weizmann Institute of Science
H-index: 95
Asia-Israel
Top articles of Jan M.L. Martin
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches | The Journal of Physical Chemistry A | Emmanouil Semidalas Amir Karton Jan ML Martin | 2024/2/24 |
On the sensitivity of computed partial charges toward basis set and (exchange‐) correlation treatment | Journal of Computational Chemistry | Nisha Mehta Jan ML Martin | 2024/1/12 |
Is explicitly correlated double-hybrid density functional theory advantageous for vibrational frequencies? | Canadian Journal of Chemistry | Nisha Mehta Golokesh Santra Jan ML Martin | 2023/1/19 |
Is valence CCSD(T) enough for the binding of water clusters? The isomers of (HO) and (HO) as a case study | arXiv preprint: https://doi.org/10.48550/arXiv.2308.06120 | Golokesh Santra Margarita Shepelenko Emmanouil Semidalas Jan M L Martin | 2023/7/31 |
Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition Metals | Journal of Chemical Theory and Computation | Emmanouil Semidalas Jan ML Martin | 2023/8/4 |
Surprising importance of tight basis functions for heavy p-block oxides and halides: a parallel with tight functions in the second row | arXiv e-prints | Nisha Mehta Jan ML Martin | 2023/1 |
C− H Bond Activation in Ru‐Catalyzed Reactions of Arenes with Olefins: Theoretical Insights into Hydroarylation and Oxidative Coupling Mechanisms | Israel Journal of Chemistry | Irena Efremenko Jan ML Martin | 2023/8 |
W4neo: leveraging coupled cluster as the `new engine option' for accurate computational thermochemistry approaches | arXiv preprint arXiv:2312.09062 | Emmanouil Semidalas Amir Karton Jan ML Martin | 2023/12/14 |
A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database | The Journal of Chemical Physics | Axel D Becke Golokesh Santra Jan ML Martin | 2023/4/17 |
Can G4-like composite Ab Initio methods accurately predict vibrational harmonic frequencies? | Molecular Physics | Emmanouil Semidalas Jan ML Martin | 2023/9/29 |
The importance of tight f basis functions for heavy p-block oxides and halides: a parallel with tight d functions in the second row | The Journal of Physical Chemistry A | Nisha Mehta Jan ML Martin | 2023/2/28 |
Post-CCSD (T) corrections to bond distances and vibrational frequencies: the power of Λ | Molecular Physics | Maciej Spiegel Emmanouil Semidalas Jan ML Martin Megan R Bentley John F Stanton | 2023/8/31 |
S66 noncovalent interactions benchmark re-examined: Composite localized coupled cluster approaches | AIP Conference Proceedings | Emmanouil Semidalas Golokesh Santra Nisha Mehta Jan ML Martin | 2022/11/23 |
Electron Correlation: Nature's Weird and Wonderful Chemical Glue | Jan ML Martin | 2022/2 | |
Quantum Tunneling in Computational Catalysis and Kinetics: Is it Really Important? | Elsevier Reference Collection in Chemistry | Ashim Nandi Germán Molpeceres Prashant K Gupta Dan T Major Johannes Kästner | 2022/9 |
Thermally‐Activated Tunneling in the Two‐Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds | ChemPhysChem | Ashim Nandi Jan ML Martin | 2022/11/18 |
The MOBH35 metal–organic barrier heights reconsidered: Performance of local-orbital coupled cluster approaches in different static correlation regimes | Journal of chemical theory and computation | Emmanouil Semidalas Jan ML Martin | 2022/1/19 |
Benefits of range-separated hybrid and double-hybrid functionals for a large and diverse data set of reaction energies and barrier heights | J. Phys. Chem. A | Golokesh Santra Rivka Calinsky Jan ML Martin | 2022/8/5 |
Basis set convergence and extrapolation of connected triple excitation contributions (T) in computational thermochemistry: the W4-17 benchmark with up to k functions | Jan ML Martin | 2022/10/27 | |
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n-Alkane Chains | arXiv preprint; https://doi.org/10.48550/arXiv.2209.03285 | Golokesh Santra Jan ML Martin | 2022/7/9 |
Co-Authors
