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Sebastian Spicher

basf se, carl-bosch straße 38, ludwigshafen am rhein, 67056 germany

21H指数
48论文数
5.8K被引数
收录论文 20
发表时间
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AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell ChemistryAIMNet2-NSE：一种适用于开壳化学的可转移反应性神经网络势能
errAngewandte Chemie International Edition
IF16.9
err2025-12-16
err0
errOAAI
errDr. Bhupalee Kalita; Dr. Roman Zubatyuk; Dr. Dylan M. Anstine; Dr. Maike Bergeler; Dr. Volker Settels; Dr. Conrad Stork; Dr. Sebastian Spicher; Dr. Olexandr Isayev
err分享
err收藏
CREST-A program for the exploration of low-energy molecular chemical spaceCREST-探索低能分子化学空间的程序
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-21
err81
errOAAI
errPracht, Philipp; Grimme, Stefan; Bannwarth, Christoph; Bohle, Fabian; Ehlert, Sebastian; Feldmann, Gereon; Gorges, Johannes; Mueller, Marcel; Neudecker, Tim; Plett, Christoph; Spicher, Sebastian; Steinbach, Pit; Wesolowski, Patryk A.; Zeller, Felix
err分享
err收藏
Design of alkyl-substituted aminothiazoles to optimise corrosion inhibition for galvanised steel: A combined experimental and molecular modelling approach
errCORROSION SCIENCE
IF8.5
err2024-02-01
err4
errOAAI
errDeng, Qiushi; Jeschke, Steffen; Mishra, Ratan K.; Spicher, Sebastian; Darouich, Samir; Schreiner, Eduard; Eiden, Philipp; Deglmann, Peter; Chen, Xiao-Bo; Keil, Patrick; Cole, Ivan
err分享
err收藏
The Role of Packing, Dispersion, Electrostatics, and Solvation in High-Affinity Complexes of Cucurbit[n]urils with Uncharged Polar Guests
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-05-25
err16
errOAAI
errGrimm, Laura M.; Spicher, Sebastian; Tkachenko, Boryslav; Schreiner, Peter R.; Grimme, Stefan; Biedermann, Frank
err分享
err收藏
Automated Molecular Cluster Growing for Explicit Solvation by Efficient Force Field and Tight Binding Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-04-28
err72
PREAI
errSpicher, Sebastian; Plett, Christoph; Pracht, Philipp; Hansen, Andreas; 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
Computer-aided simulation of infrared spectra of ethanol conformations in gas, liquid and in CCl4 solution
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-11-30
err18
PREAI
errKatsyuba, Sergey A.; Gerasimova, Tatiana P.; Spicher, Sebastian; Bohle, Fabian; Grimme, Stefan
err分享
err收藏
Supramolecular Nanopatterns of Molecular Spoked Wheels with Orthogonal Pillars: The Observation of a Fullerene Haze
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-11-23
err5
errOAAI
errPoluektov, Georgiy; Keller, Tristan J.; Jochemich, Anna; Kroenert, Anna; Mueller, Ute; Spicher, Sebastian; Grimme, Stefan; Jester, Stefan-S; Hoeger, Sigurd
err分享
err收藏
Nanoscale π-conjugated ladders
errNATURE COMMUNICATIONS
IF15.7
err2021-11-16
err11
errOAAI
errMeissner, Stefanie A.; Eder, Theresa; Keller, Tristan J.; Hofmeister, David A.; Spicher, Sebastian; Jester, Stefan-S; Vogelsang, Jan; Grimme, Stefan; Lupton, John M.; Hoeger, Sigurd
err分享
err收藏
Revisiting conformations of methyl lactate in water and methanol
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-07-13
err17
PREAI
errKatsyuba, Sergey A.; Spicher, Sebastian; Gerasimova, Tatiana P.; Grimme, Stefan
err分享
err收藏
Robust and Efficient Implicit Solvation Model for Fast Semiempirical Methods用于快速半经验方法的鲁棒高效隐式求解模型
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-29
err301
errOAAI
errEhlert, Sebastian; Stahn, Marcel; Spicher, Sebastian; Grimme, Stefan
err分享
err收藏
Ox-SLIM: Synthesis of and Site-Specific Labelling with a Highly Hydrophilic Trityl Spin LabelOx-slim: 高亲水性三苯甲基自旋标记的合成和位点特异性标记
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2021-02-17
err38
errOAAI
errFleck, Nico; Heubach, Caspar; Hett, Tobias; Spicher, Sebastian; Grimme, Stefan; Schiemann, Olav
err分享
err收藏
Single-Point Hessian Calculations for Improved Vibrational Frequencies and Rigid-Rotor-Harmonic-Oscillator Thermodynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-08
err71
PREAI
errSpicher, Sebastian; Grimme, Stefan
err分享
err收藏
Efficient Calculation of Small Molecule Binding in Metal-Organic Frameworks and Porous Organic Cages
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-12-03
err38
PREAI
errSpicher, Sebastian; Bursch, Markus; Grimme, Stefan
err分享
err收藏
Extendedtight-bindingquantum chemistry methods扩展的紧密结合量子化学方法
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2020-08-09
err959
errOAAI
errBannwarth, Christoph; Caldeweyher, Eike; Ehlert, Sebastian; Hansen, Andreas; Pracht, Philipp; Seibert, Jakob; Spicher, Sebastian; Grimme, Stefan
err分享
err收藏
Pulsed EPR Dipolar Spectroscopy on Spin Pairs with one Highly Anisotropic Spin Center: The Low-Spin FeIII Case
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2019-10-09
err21
errOAAI
errAbdullin, Dinar; Brehm, Philipp; Fleck, Nico; Spicher, Sebastian; Grimme, Stefan; Schiemann, Olav
err分享
err收藏
Pulsed EPR Dipolar Spectroscopy under the Breakdown of the High-Field Approximation: The High-Spin Iron(III) Case
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2019-06-06
err13
PREAI
errAbdullin, Dinar; Matsuoka, Hideto; Yulikov, Maxim; Fleck, Nico; Klein, Christoph; Spicher, Sebastian; Hagelueken, Gregor; Grimme, Stefan; Luetzen, Arne; Schiemann, Olav
err分享
err收藏
A generally applicable atomic-charge dependent London dispersion correction一种普遍适用的原子电荷相关伦敦色散校正
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-19
err1.0K
errOAAI
errCaldeweyher, Eike; Ehlert, Sebastian; Hansen, Andreas; Neugebauer, Hagen; Spicher, Sebastian; Bannwarth, Christoph; Grimme, Stefan
err分享
err收藏
Synthesis of μ2-Oxo-Bridged Iron(III) Tetraphenylporphyrin-Spacer-Nitroxide Dimers and their Structural and Dynamics Characterization by using EPR and MD Simulations
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2019-01-21
err8
PREAI
errAbdullin, Dinar; Fleck, Nico; Klein, Christoph; Brehm, Philipp; Spicher, Sebastian; Luetzen, Arne; Grimme, Stefan; Schiemann, Olav
err分享
err收藏
Synthesis of Nanometer Sized Bis- and Tris-trityl Model Compounds with Different Extent of Spin-Spin Coupling
errMOLECULES
IF4.6
err2018-03-17
err20
errOAAI
errJassoy, J. Jacques; Meyer, Andreas; Spicher, Sebastian; Wuebben, Christine; Schiemann, Olav
err分享
err收藏

研究方向

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合作学者
合作期刊
S
Stefan Grimme
H 指数: 136 · 论文数: 1.5K
C
Christoph Klein
H 指数: 88 · 论文数: 487
P
Peter R. Schreiner
H 指数: 79 · 论文数: 1.3K
J
John M. Lupton
H 指数: 61 · 论文数: 364
I
Ivan Cole
H 指数: 56 · 论文数: 384
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