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J

Jan M. L. Martin

massachusetts institute of technology

88H指数
552论文数
3.1W被引数
收录论文 97
发表时间
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FNO-CCSDTQ(5)Λ as an economical alternative for connected quintuple excitations contributions in coupled cluster thermochemistryFNO-CCSDTQ(5)Λ 作为耦合簇热化学中连接五重激发贡献的经济替代方案
errChemical Physics Letters
IF3.1
err2026-07-01
err1
PREAI
errJones, Gregory H.; Barman, Aditya; Shepelenko, Margarita; Martin, Jan M. L.
err分享
err收藏
Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples局部自然轨道任意阶耦合簇方法的发展及通过连接四线激发的评估
errThe Journal of Physical Chemistry A
IF2.8
err2026-04-08
err0
errOAAI
errVladimir Fishman; Balázs D. Lőrincz; Emmanouil Semidalas; Aditya Barman; Jan M. L. Martin; Péter R. Nagy; Mihály Kállay
err分享
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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次价相关和更高阶后-CCSD(T)相关效应的热化学贡献之间的耦合——迈向W5理论的一步
errJournal of Physical Chemistry A
IF2.8
err2026-03-01
err0
errOAAI
errBarman, Aditya; Jones, Gregory H.; Weflen, Kaila E.; Shepelenko, Margarita; Martin, Jan M. L.
err分享
err收藏
Another Angle on Benchmarking Noncovalent Interactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-26
err0
errOAAI
errFishman, Vladimir; Lesiuk, Michal; Martin, Jan M. L.; Daniel Boese, A.
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Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?基集叠加误差对CCSD(T) 后校正有显著影响吗？
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-12-24
err1
errOAAI
errFishman, Vladimir; Semidalas, Emmanouil; Shepelenko, Margarita; Martin, Jan M. L.
err分享
err收藏
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment关于计算出的部分电荷对基集和 (交换) 相关处理的敏感性
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-01-12
err3
errOAAI
errMehta, Nisha; Martin, Jan M. L.
err分享
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Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition Metals
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-08-04
err2
errOAAI
errSemidalas, Emmanouil; Martin, Jan M. L.
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A double-hybrid density functional based on good local physics with outstanding performance on the GMTKN55 database
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-17
err13
errOAAI
errBecke, Axel D.; Santra, Golokesh; Martin, Jan M. L.
err分享
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Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 Database
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-13
err19
errOAAI
errMehta, Nisha; Martin, Jan M. L.
err分享
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Automatic generation of complementary auxiliary basis sets for explicitly correlated methods用于显式相关方法的互补辅助基础集的自动生成
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-07-19
err5
errOAAI
errSemidalas, Emmanouil; Martin, Jan M. L.
err分享
err收藏
The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-19
err38
errOAAI
errSemidalas, Emmanouil; Martin, Jan M. L.
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Pure and Hybrid SCAN, rSCAN, and r2SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking?
errMOLECULES
IF4.6
err2021-12-27
err18
errOAAI
errSantra, Golokesh; Martin, Jan M. L.
err分享
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Prototypical π-π dimers re-examined by means of high-level CCSDT(Q) composite ab initio methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-25
err12
errOAAI
errKarton, Amir; Martin, Jan M. L.
err分享
err收藏
What Types of Chemical Problems Benefit from Density-Corrected DFT? A Probe Using an Extensive and Chemically Diverse Test Suite
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-24
err53
errOAAI
errSantra, Golokesh; Martin, Jan M. L.
err分享
err收藏
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-11-17
err18
errOAAI
errSemidalas, Emmanouil; Martin, Jan M. L.
err分享
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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?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-26
err27
errOAAI
errSemidalas, Emmanouil; Martin, Jan M. L.
err分享
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Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Huckel-Mobius Interconversions in Expanded Porphyrins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-27
err41
errOAAI
errSylvetsky, Nitai; Banerjee, Ambar; Alonso, Mercedes; Martin, Jan M. L.
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The Promises and Challenges of Erythropoietin for Treatment of Alzheimer's Disease
errNEUROMOLECULAR MEDICINE
IF3.9
err2019-01-17
err39
errOAAI
errSun, Jiahong; Martin, Jan Michelle; Vanderpoel, Victoria; Sumbria, Rachita K.
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Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energiesCCSD和近似CCSD-F12变体是否收敛到相同的基础集限制？雾化能量的情况
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-10-18
err50
errOAAI
errKesharwani, Manoj K.; Sylvetsky, Nitai; Koehn, Andreas; Tew, David P.; Martin, Jan M. L.
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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
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2018-09-12
err110
PREAI
errHaviv, Eynat; Azaiza-Dabbah, Dima; Carmieli, Raanan; Avram, Liat; Martin, Jan M. L.; Neumann, Ronny
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研究方向

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