Gershom (Jan M L) Martin

Emailgershomweizmann.acil

Rehovot
Israel

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305 Article
17 Paper
9 Conference contribution
6 Comment/debate
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Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward “W5 Theory”
Barman, A., Jones, G. H., Weflen, K. E., Shepelenko, M. & Martin, J. M. L., 9 Apr 2026, In: Journal of Physical Chemistry A. 130, 14, p. 2943-2955 13 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Another Angle on Benchmarking Noncovalent Interactions
Fishman, V., Lesiuk, M., Martin, J. M. L. & Daniel Boese, A., 11 Mar 2025, In: Journal of Chemical Theory and Computation. 21, 5, p. 2311-2324 14 p.
Research output: Contribution to journal › Article › peer-review

Open Access
11 Link opens in a new tab Citations (Scopus)
Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?
Fishman, V., Semidalas, E., Shepelenko, M. & Martin, J. M. L., 5 Jan 2025, In: Journal of Computational Chemistry. 46, 1, 8 p., e70006.
Research output: Contribution to journal › Article › peer-review

Open Access
6 Link opens in a new tab Citations (Scopus)
Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy
Weflen, K. E., Bentley, M. R., Thorpe, J. H., Franke, P. R., Martin, J. M. L., Matthews, D. A. & Stanton, J. F., 22 May 2025, In: Journal of Physical Chemistry Letters. 16, 20, p. 5121-5127 7 p.
Research output: Contribution to journal › Article › peer-review

Open Access
2 Link opens in a new tab Citations (Scopus)
Exploring the influence of (n − 1)d subvalence correlation and of spin–orbit coupling on chalcogen bonding
Mehta, N. & Martin, J. M. L., 21 Jan 2025, In: Physical Chemistry Chemical Physics. 27, 3, p. 1274-1283 10 p.
Research output: Contribution to journal › Article › peer-review

Open Access
2 Link opens in a new tab Citations (Scopus)

Electronic Supporting Information for the "GLPT2 vs. MP2" conference proceedings paper
Martin, G. (Creator), 2 Nov 2021
DOI: 10.34933/wis.000398, https://www.iccmse.org/
Dataset

File
Data for: C–H bond activation in Ru-catalyzed reactions of arenes with olefins: Theoretical insights into hydroarylation and oxidative coupling mechanisms
Martin, G. (Owner), 2 Mar 2023
DOI: 10.34933/wis.000655
Dataset

File
Data for: Can G4-like Composite Ab Initio Methods Accurately Predict Vibrational Harmonic Frequencies?
Martin, G. (Creator) & Semidalas, E. (Creator), 19 Sept 2023
DOI: 10.34933/2b615f91-8187-47c1-a29b-86705932634a
Dataset

File
Supporting information for the S66 LNO-CCSD(T) composite methods conference proceedings paper (ICCMSE2021)
Martin, G. (Owner), 2 Nov 2021
DOI: 10.34933/wis.000397, https://www.iccmse.org/
Dataset

File
Data for Basis set convergence and extrapolation of connected triple excitation contributions (T) in computational thermochemistry: The W4-17 Benchmark with Up to k Functions
Martin, G. (Owner), 25 Mar 2021
DOI: 10.34933/wis.000243
Dataset

File

Gershom (Jan M L) Martin

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Collaborations and top research areas from the last five years

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Coupling between Thermochemical Contributions of Subvalence Correlation and of Higher-Order Post-CCSD(T) Correlation Effects─A Step toward “W5 Theory”

Another Angle on Benchmarking Noncovalent Interactions

Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?

Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy

Exploring the influence of (n − 1)d subvalence correlation and of spin–orbit coupling on chalcogen bonding

Electronic Supporting Information for the "GLPT2 vs. MP2" conference proceedings paper

Data for: C–H bond activation in Ru-catalyzed reactions of arenes with olefins: Theoretical insights into hydroarylation and oxidative coupling mechanisms

Data for: Can G4-like Composite Ab Initio Methods Accurately Predict Vibrational Harmonic Frequencies?

Supporting information for the S66 LNO-CCSD(T) composite methods conference proceedings paper (ICCMSE2021)

Data for Basis set convergence and extrapolation of connected triple excitation contributions (T) in computational thermochemistry: The W4-17 Benchmark with Up to k Functions

Gershom (Jan M L) Martin

Fingerprint

Collaborations and top research areas from the last five years

Research output

Datasets