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Emmanouil Semidalas

university of new england

11H指数
41论文数
349被引数
收录论文 9
发表时间
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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
err收藏
Benchmarking Isomerization Energies for C5-C7 Hydrocarbons: The ISOC7 DatabaseC5-C7烃类异构化能的基准测试：ISOC7数据库
errJournal of Computational Chemistry
IF4.8
err2026-01-15
err0
PREAI
errKarton, Amir; Semidalas, Emmanouil
err分享
err收藏
Molecular Physics Early Career Researcher Prize 2024 winner's profile分子物理学早期职业研究员奖2024获奖者简介
errMolecular Physics
IF1.8
err2025-12-01
err0
PREAI
errSemidalas, Emmanouil
err分享
err收藏
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
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.
err分享
err收藏
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.
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
err收藏
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
err收藏

研究方向

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合作学者
合作期刊
J
Jan M. L. Martin
H 指数: 88 · 论文数: 552
A
Amir Karton
H 指数: 57 · 论文数: 341
M
Mihály Kállay
H 指数: 50 · 论文数: 213
P
Péter R. Nagy
H 指数: 23 · 论文数: 94
M
Margarita Shepelenko
H 指数: 6 · 论文数: 20
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