Gershom (Jan M L) Martin

Emailgershomweizmann.acil

Rehovot
Israel

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1 Similar Profiles

Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition
Fishman, V., Semidalas, E. & Martin, J. M. L., 21 Aug 2024, (Published Online) In: Journal of Physical Chemistry A. 128, 35, p. 7462-7470 9 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Erratum: Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case" (The journal of physical chemistry. A (2021) 125 21 (4614-4627))
Santra, G., Cho, M. & Martin, J. M. L., 8 Feb 2024, In: The journal of physical chemistry. A. 128, 5, p. 974-975 2 p.
Research output: Contribution to journal › Comment/debate › peer-review

Open Access
Exploring the influence of (n − 1)d subvalence correlation and of spin-orbit coupling on chalcogen bonding
Mehta, N. & Martin, J. M. L., 31 Jul 2024, (Published Online) In: Physical Chemistry Chemical Physics.
Research output: Contribution to journal › Article › peer-review

Open Access
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment
Mehta, N. & Martin, J. M. L., 15 May 2024, In: Journal of Computational Chemistry. 45, 13, p. 1017-1032 16 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Quantum Tunneling in Computational Catalysis and Kinetics: Is it Really Important?
Nandi, A., Molpeceres, G., Gupta, P. K., Major, D. T., Kästner, J., Martin, J. M. L. & Kozuch, S., 2024, Comprehensive Computational Chemistry. Elsevier, Vol. 4. p. 713-734 22 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
1 Citation (Scopus)

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
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: 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: 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

Gershom (Jan M L) Martin

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Collaborations and top research areas from the last five years

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Basis Set Extrapolation from the Vanishing Counterpoise Correction Condition

Erratum: Correction to "Exploring Avenues beyond Revised DSD Functionals: I. Range Separation, with xDSD as a Special Case" (The journal of physical chemistry. A (2021) 125 21 (4614-4627))

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

On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment

Quantum Tunneling in Computational Catalysis and Kinetics: Is it Really Important?

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

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

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

Gershom (Jan M L) Martin

Fingerprint

Collaborations and top research areas from the last five years

Research output

Datasets