Jan M L Martin

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 52

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

The Journal of chemical physics

The journal of physical chemistry letters

Weizmann Institute of Science

U. of Antwerp (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Weizmann Institute of Science Nov 01 2005

Israel

Baroness Thatcher Professor of Chemistry :: Dept. of Organic Chemistry

Education History

U. of Antwerp Oct 01 1987

Belgium

PHD :: Dept. of Chemistry

Publications

Nisha Mehta, Jan M L Martin
Exploring the influence of ( n - 1)d subvalence correlation and of spin-orbit coupling on chalcogen bonding. Physical chemistry chemical physics : PCCP (2024)
Emmanouil Semidalas, Amir Karton, Jan M L Martin
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches. The journal of physical chemistry. A 128 (9) (2024)
Emmanouil Semidalas, Amir Karton, Jan M L Martin
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches. The journal of physical chemistry. A 128 (9) (2024)
Nisha Mehta, Jan M L Martin
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment. Journal of computational chemistry (2024)
Emmanouil Semidalas, Amir Karton, Jan M L Martin
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches. The journal of physical chemistry. A (2024)
Golokesh Santra, Minsik Cho, Jan M L Martin
Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case". The journal of physical chemistry. A 128 (5) (2024)
Emmanouil Semidalas, Amir Karton, Jan M L Martin
W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches. The journal of physical chemistry. A 128 (9) (2024)
Vladimir Fishman, Emmanouil Semidalas, Jan M L Martin
Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition. The journal of physical chemistry. A (2024)
Nisha Mehta, Jan M L Martin
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment. Journal of computational chemistry 45 (13) (2024)
Golokesh Santra, Minsik Cho, Jan M L Martin
Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case". The journal of physical chemistry. A (2024)
Golokesh Santra, Minsik Cho, Jan M L Martin
Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case". The journal of physical chemistry. A 128 (5) (2024)
Golokesh Santra, Minsik Cho, Jan M L Martin
Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case". The journal of physical chemistry. A 128 (5) (2024)
Nisha Mehta, Jan M L Martin
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 127 (9) (2023)
Emmanouil Semidalas, Jan M L Martin
Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition Metals. Journal of chemical theory and computation (2023)
Axel D Becke, Golokesh Santra, Jan M L Martin
A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. The Journal of chemical physics 158 (15) (2023)
Nisha Mehta, Jan M L Martin
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 127 (9) (2023)
Nisha Mehta, Jan M L Martin
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 (2023)
Axel D Becke, Golokesh Santra, Jan M L Martin
A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. The Journal of chemical physics 158 (15) (2023)
Nisha Mehta, Jan M L Martin
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 127 (9) (2023)
Axel D Becke, Golokesh Santra, Jan M L Martin
A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database. The Journal of chemical physics 158 (15) (2023)
Golokesh Santra, Jan M L Martin
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n -Alkane Chains. The journal of physical chemistry. A 126 (50) (2022)
Ashim Nandi, Jan M L Martin
Thermally-Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene Compounds. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (22) (2022)
Ashim Nandi, Jan M L Martin
Heavy-Atom Tunneling in the Covalent/Dative Bond Complexation of Cyclo[18]carbon-Piperidine. The journal of physical chemistry. B 126 (8) (2022)
Golokesh Santra, Emmanouil Semidalas, Nisha Mehta, Amir Karton, Jan M L Martin
S66x8 noncovalent interactions revisited: new benchmark and performance of composite localized coupled-cluster methods. Physical chemistry chemical physics : PCCP 24 (41) (2022)
Golokesh Santra, Rivka Calinsky, Jan M L Martin
Benefits of Range-Separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Data Set of Reaction Energies and Barrier Heights. The journal of physical chemistry. A 126 (32) (2022)
Golokesh Santra, Jan M L Martin
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n -Alkane Chains. The journal of physical chemistry. A 126 (50) (2022)
Nisha Mehta, Jan M L Martin
Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 Database. Journal of chemical theory and computation 18 (10) (2022)
Golokesh Santra, Jan M L Martin
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n -Alkane Chains. The journal of physical chemistry. A 126 (50) (2022)
Emmanouil Semidalas, Jan M L Martin
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 18 (2) (2022)
Nisha Mehta, Jan M L Martin
Reduced-Scaling Double Hybrid Density Functional Theory with Rapid Basis Set Convergence through Localized Pair Natural Orbital F12. The journal of physical chemistry letters 13 (40) (2022)
Golokesh Santra, Jan M L Martin
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n -Alkane Chains. The journal of physical chemistry. A (2022)
Golokesh Santra, Jan M L Martin
Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark. The journal of physical chemistry letters 13 (15) (2022)
Nisha Mehta, Jan M L Martin
MP2-F12 Basis Set Convergence near the Complete Basis Set Limit: Are h Functions Sufficient? The journal of physical chemistry. A 126 (24) (2022)
Emmanouil Semidalas, Jan M L Martin
Automatic generation of complementary auxiliary basis sets for explicitly correlated methods. Journal of computational chemistry 43 (25) (2022)
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
Surprisingly Good Performance of XYG3 Family Functionals Using a Scaled KS-MP3 Correlation. The journal of physical chemistry letters 12 (38) (2021)
Golokesh Santra, Minsik Cho, Jan M L Martin
Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case. The journal of physical chemistry. A 125 (21) (2021)
Golokesh Santra, Jan M L Martin
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite. Journal of chemical theory and computation 17 (3) (2021)
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections. The journal of physical chemistry. A 125 (21) (2021)
Irena Efremenko, Jan M L Martin
Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride Carbonyls. The journal of physical chemistry. A 125 (40) (2021)
Golokesh Santra, Jan M L Martin
Pure and Hybrid SCAN, rSCAN, and r 2 SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking? Molecules (Basel, Switzerland) 27 (1) (2021)
Nitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, Jan M L Martin
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded Porphyrins. Journal of chemical theory and computation 16 (6) (2020)
Emmanouil Semidalas, Jan M L Martin
Canonical and DLPNO-Based Composite Wavefunction Methods Parametrized against Large and Chemically Diverse Training Sets. 2: Correlation-Consistent Basis Sets, Core-Valence Correlation, and F12 Alternatives. Journal of chemical theory and computation 16 (12) (2020)
Amir Karton, Jan M L Martin, Peter M W Gill
Tribute to Leo Radom. The journal of physical chemistry. A 123 (48) (2020)
Tatiana Woller, Ambar Banerjee, Nitai Sylvetsky, Golokesh Santra, Xavier Deraet, Frank De Proft, Jan M L Martin, Mercedes Alonso
Performance of Electronic Structure Methods for the Description of Hückel-Möbius Interconversions in Extended π-Systems. The journal of physical chemistry. A 124 (12) (2020)
Minsik Cho, Nitai Sylvetsky, Sarah Eshafi, Golokesh Santra, Irena Efremenko, Jan M L Martin
The Atomic Partial Charges Arboretum: Trying to See the Forest for the Trees. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (8) (2020)
Emmanouil Semidalas, Jan M L Martin
Canonical and DLPNO-Based G4(MP2)XK-Inspired Composite Wave Function Methods Parametrized against Large and Chemically Diverse Training Sets: Are They More Accurate and/or Robust than Double-Hybrid DFT? Journal of chemical theory and computation 16 (7) (2020)
Golokesh Santra, Nitai Sylvetsky, Jan M L Martin
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 123 (24) (2019)
Nitai Sylvetsky, Manoj K Kesharwani, Jan M L Martin
The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes. The Journal of chemical physics 147 (13) (2018)
Eynat Haviv, Dima Azaiza-Dabbah, Raanan Carmieli, Liat Avram, Jan M L Martin, Ronny Neumann
A Thiourea Tether in the Second Coordination Sphere as a Binding Site for CO2 and a Proton Donor Promotes the Electrochemical Reduction of CO2 to CO Catalyzed by a Rhenium Bipyridine-Type Complex. Journal of the American Chemical Society 140 (39) (2018)
Manoj K Kesharwani, Nitai Sylvetsky, Andreas Köhn, David P Tew, Jan M L Martin
Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies. The Journal of chemical physics 149 (15) (2018)
Manoj K Kesharwani, Debashree Manna, Nitai Sylvetsky, Jan M L Martin
The X40×10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation. The journal of physical chemistry. A 122 (8) (2018)
Debashree Manna, Manoj K Kesharwani, Nitai Sylvetsky, Jan M L Martin
Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets. Journal of chemical theory and computation 13 (7) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jan M L Martin