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M

Markus Bursch

faccts gmbh

31H指数
146论文数
3.8K被引数
收录论文 45
发表时间
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ORCA Meets Python─The ORCA Python Interface OPIORCA 逢 Python─ORCA Python 接口 OPI
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-26
err0
errOAAI
errTim Tetenberg; Hagen Neugebauer; Christoph Plett; Nakul Santhosh; Markus Bursch; Christoph Riplinger
err分享
err收藏
Modified Opposite-Spin-Scaled Double-Hybrid Functionals改进的逆向自旋缩放双重杂化泛函
errThe Journal of Physical Chemistry A
IF0
err2025-07-24
err0
errOAAI
errGolokesh Santra; Markus Bursch; Lukas Wittmann
err分享
err收藏
The p-block challenge: assessing quantum chemistry methods for inorganic heterocycle dimerizations (vol 26, pg 3884, 2024)p区挑战：评估量子化学方法在无机杂环二聚化中的应用（卷26，页3884，2024）
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errGasevic, Thomas; Bursch, Markus; Ma, Qianli; Grimme, Stefan
err分享
err收藏
Fast and Robust Modeling of Lanthanide and Actinide Complexes, Biomolecules, and Molecular Crystals with the Extended GFN-FF Model
errINORGANIC CHEMISTRY
IF4.7
err2024-09-28
err2
PREAI
errRose, Thomas; Bursch, Markus; Mewes, Jan-Michael; Grimme, Stefan
err分享
err收藏
Benchmark Study on the Calculation of 207Pb NMR Chemical Shifts
errINORGANIC CHEMISTRY
IF4.7
err2024-03-06
err2
errOAAI
errGasevic, Thomas; Buening, Julius B. Kleine; Grimme, Stefan; Bursch, Markus
err分享
err收藏
Hybrid DFT Geometries and Properties for 17k Lanthanoid Complexes-The LnQM Data Set
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-01-18
err5
PREAI
errHoelzer, Christian; Gordiy, Igor; Grimme, Stefan; Bursch, Markus
err分享
err收藏
Confined Lewis Pairs: Investigation of the X-→Si20 Interaction in Halogen-Encapsulating Silafulleranes受限的刘易斯对: 卤素封装的silapullerane中X-→ Si20相互作用的研究
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-01-02
err1
errOAAI
errGasevic, Thomas; Bamberg, Marcel; Wicke, Julius; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Hansen, Andreas; Wagner, Matthias; Bursch, Markus
err分享
err收藏
Influence of Steric and Dispersion Interactions on the Thermochemistry of Crowded (Fluoro)alkyl Compounds
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2023-12-15
err6
PREAI
errBursch, Markus; Grimme, Stefan; Hansen, Andreas
err分享
err收藏
Dispersion-corrected r2SCAN based double-hybrid functionals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-08
err10
errOAAI
errWittmann, Lukas; Neugebauer, Hagen; Grimme, Stefan; Bursch, Markus
err分享
err收藏
Modular Bicyclophane-Based Molecular Platforms
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2023-10-25
err1
errOAAI
errKalle, Daniel; Bahr, Joshua; Keller, Tristan Johannes; Buening, Julius B. Kleine; Grimme, Stefan; Bursch, Markus; Jester, Stefan-Sven; Hoeger, Sigurd
err分享
err收藏
Assessment of DLPNO-MP2 Approximations in Double-Hybrid DFT
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-20
err13
errOAAI
errNeugebauer, Hagen; Pinski, Peter; Grimme, Stefan; Neese, Frank; Bursch, Markus
err分享
err收藏
Regioselective Derivatization of Silylated [20]Silafulleranes
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-05-12
err3
errOAAI
errBamberg, Marcel; Gasevic, Thomas; Bolte, Michael; Virovets, Alexander; Lerner, Hans-Wolfram; Grimme, Stefan; Bursch, Markus; Wagner, Matthias
err分享
err收藏
Best-Practice DFT Protocols for Basic Molecular Computational Chemistry基础分子计算化学的最佳实践DFT协议
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2022-09-14
err390
errOAAI
errBursch, Markus; Mewes, Jan-Michael; Hansen, Andreas; Grimme, Stefan
err分享
err收藏
Computational study of ground-state properties of μ2-bridged group 14 porphyrinic sandwich complexes
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-04-26
err1
errOAAI
errKohn, Julia; Bursch, Markus; Hansen, Andreas; Grimme, Stefan
err分享
err收藏
Dispersion corrected r2SCAN based global hybrid functionals: r2SCANh, r2SCAN0, and r2SCAN50
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-04
err51
PREAI
errBursch, Markus; Neugebauer, Hagen; Ehlert, Sebastian; Grimme, Stefan
err分享
err收藏
Benchmark Study on the Calculation of 119Sn NMR Chemical Shifts
errINORGANIC CHEMISTRY
IF4.7
err2022-02-18
err17
PREAI
errStueckrath, Julius B.; Gasevic, Thomas; Bursch, Markus; Grimme, Stefan
err分享
err收藏
Quickstart guide to model structures and interactions of artificial molecular muscles with efficient computational methods
errCHEMICAL COMMUNICATIONS
IF4.2
err2022-01-01
err5
PREAI
errKohn, Julia; Spicher, Sebastian; Bursch, Markus; Grimme, Stefan
err分享
err收藏
Designing a Solution-Stable Distannene: The Decisive Role of London Dispersion Effects in the Structure and Properties of {Sn(C6H2-2,4,6-Cy3)2 2 (Cy = Cyclohexyl)
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-12-14
err15
PREAI
errStennett, Cary R.; Bursch, Markus; Fettinger, James C.; Grimme, Stefan; Power, Philip P.
err分享
err收藏
Assessing Density Functional Theory for Chemically Relevant Open-Shell Transition Metal Reactions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-21
err89
PREAI
errMaurer, Leonard R.; Bursch, Markus; Grimme, Stefan; Hansen, Andreas
err分享
err收藏
Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-09-02
err9
errOAAI
errKoering, Laura; Sitte, Nikolai A.; Bursch, Markus; Grimme, Stefan; Paradies, Jan
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
F
Frank Neese
H 指数: 141 · 论文数: 980
L
Lutz Ackermann
H 指数: 140 · 论文数: 1.1K
S
Stefan Grimme
H 指数: 136 · 论文数: 1.5K
P
Philip P. Power
H 指数: 105 · 论文数: 1.2K
C
Constantin G. Daniliuc
H 指数: 85 · 论文数: 3.4K
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