日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples

基于连通四元组的局部自然轨道任意阶耦合簇方法的发展与评估

期刊:Journal of Physical Chemistry A
影响因子:2.8
doi:10.1021/acs.jpca.6c00607
Fishman, Vladimir; Lőrincz, Balázs D; Semidalas, Emmanouil; Barman, Aditya; Martin, Jan M L; Nagy, Péter R; Kállay, Mihály
发表日期：2026
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Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?

基组重叠误差是否会对 CCSD(T) 后的校正产生显著影响？

期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.70007
Fishman, Vladimir; Semidalas, Emmanouil; Shepelenko, Margarita; Martin, Jan M L
CCS
发表日期：2025
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W4Λ: Leveraging Λ Coupled-Cluster for Accurate Computational Thermochemistry Approaches

W4Λ：利用Λ耦合簇实现精确的计算热化学方法

期刊:Journal of Physical Chemistry A
影响因子:2.8
doi:10.1021/acs.jpca.3c08158
Semidalas, Emmanouil; Karton, Amir; Martin, Jan M L
发表日期：2024
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Correlation Consistent Basis Sets for Explicitly Correlated Theory: The Transition Metals

显式关联理论的相关一致基组：过渡金属

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c00506
Semidalas, Emmanouil; Martin, Jan M L
发表日期：2023
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The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation Regimes

重新审视MOBH35金属-有机物势垒高度：局域轨道耦合簇方法在不同静态关联机制下的性能

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.1c01126
Semidalas, Emmanouil; Martin, Jan M L
发表日期：2022
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Automatic generation of complementary auxiliary basis sets for explicitly correlated methods

自动生成显式相关方法的互补辅助基组

期刊:Journal of Computational Chemistry
影响因子:4.8
doi:10.1002/jcc.26970
Semidalas, Emmanouil; Martin, Jan M L
发表日期：2022
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Exploring Avenues beyond Revised DSD Functionals: II. Random-Phase Approximation and Scaled MP3 Corrections

探索修订版 DSD 泛函之外的途径：II. 随机相位近似和缩放 MP3 校正

期刊:Journal of Physical Chemistry A
影响因子:2.7
doi:10.1021/acs.jpca.1c01295
Golokesh Santra, Emmanouil Semidalas, Jan M L Martin
发表日期：2021
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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?

基于规范和 DLPNO 的 G4(MP2)XK 启发式复合波函数方法，针对大型和化学多样化的训练集进行参数化：它们是否比双混合 DFT 更准确和/或更稳健？

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.0c00189
Semidalas, Emmanouil; Martin, Jan M L
发表日期：2020
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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

基于大型且化学性质多样的训练集的正则化和基于DLPNO的复合波函数方法。2：相关一致基组、核-价相关性和F12替代方案

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.0c01106
Semidalas, Emmanouil; Martin, Jan M L
发表日期：2020
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