logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
P

Philipp Pracht

University of Cambridge

19H指数
43论文数
5.7K被引数
收录论文 18
发表时间
logo
Conformational Pruning via the Permutation Invariant Root-Mean-Square Deviation of Atomic Positions构象剪枝通过原子位置排列不变均方根偏差实现
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-04-30
err0
PREAI
errPracht, P
err分享
err收藏
Proton-driven lithium separation using alkali-templated coordination cages碱模板配位笼驱动的质子分离锂技术
errChem
IF19.6
err2025-04-28
err0
errOAAI
errXiang Sun; Kai Wu; Paula C.P. Teeuwen; Philipp Pracht; David J. Wales; Jonathan R. Nitschke
err分享
err收藏
Decoding Solubility Signatures from Amyloid Monomer Energy Landscapes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-24
err0
errOAAI
errWesolowski, Patryk Adam; Yang, Bojun; Davolio, Anthony J.; Woods, Esmae J.; Pracht, Philipp; Bojarski, Krzysztof K.; Wierbilowicz, Krzysztof; Payne, Mike C.; Wales, David J.
err分享
err收藏
Tensor Train Optimization for Conformational Sampling of Organic Molecules
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-22
err0
PREAI
errZurek, Christopher; Mallaev, Ruslan A.; Paul, Alexander C.; van Staalduinen, Nils; Pracht, Philipp; Ellerbrock, Roman; Bannwarth, Christoph
err分享
err收藏
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-12-12
err0
PREAI
errPracht, Philipp; Pillai, Yuthika; Kapil, Venkat; Csanyi, Gabor; Goennheimer, Nils; Vondrak, Martin; Margraf, Johannes T.; Wales, David J.
err分享
err收藏
Double-Bridging Increases the Stability of Zinc(II) Metal-Organic Cages
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-11-04
err0
errOAAI
errKurz, Hannah; Teeuwen, Paula C. P.; Ronson, Tanya K.; Hoffman, Jack B.; Pracht, Philipp; Wales, David J.; Nitschke, Jonathan R.
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
Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding level
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-08-08
err4
errOAAI
errPracht, Philipp; Morgan, John W. R.; Wales, David J.
err分享
err收藏
Multifaceted View on the Mechanism of a Photochemical Deracemization Reaction关于光化学去acemization反应机理的多方面观点
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-01-20
err23
PREAI
errKutta, Roger Jan; Grosskopf, Johannes; van Staalduinen, Nils; Seitz, Antonia; Pracht, Philipp; Breitenlechner, Stefan; Bannwarth, Christoph; Nuernberger, Patrick; Bach, Thorsten
err分享
err收藏
Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-09-19
err12
PREAI
errPracht, Philipp; Bannwarth, Christoph
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
High-Throughput Non-targeted Chemical Structure Identification Using Gas-Phase Infrared Spectra
errANALYTICAL CHEMISTRY
IF6.7
err2021-07-21
err4
errOAAI
errKarunaratne, Erandika; Hill, Dennis W.; Pracht, Philipp; Gascon, Jose A.; Grimme, Stefan; Grant, David F.
err分享
err收藏
Calculation of absolute molecular entropies and heat capacities made simple
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err117
errOAAI
errPracht, Philipp; Grimme, Stefan
err分享
err收藏
Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-15
err43
errOAAI
errPracht, Philipp; Grant, David F.; 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
High accuracy quantum-chemistry-based calculation and blind prediction of macroscopic pKa values in the context of the SAMPL6 challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2018-08-23
err54
PREAI
errPracht, Philipp; Wilcken, Rainer; Udvarhelyi, Aniko; Rodde, Stephane; Grimme, Stefan
err分享
err收藏
Fully Automated Quantum-Chemistry-Based Computation of Spin-Spin-Coupled Nuclear Magnetic Resonance Spectra
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2017-10-11
err161
errOAAI
errGrimme, Stefan; Bannwarth, Christoph; Dohm, Sebastian; Hansen, Andreas; Pisarek, Jana; Pracht, Philipp; Seibert, Jakob; Neese, Frank
err分享
err收藏
Automated and Efficient Quantum Chemical Determination and Energetic Ranking of Molecular Protonation Sites
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-08-31
err57
PREAI
errPracht, Philipp; Bauer, Christoph Alexander; Grimme, Stefan
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
S
Stefan Grimme
H 指数: 136 · 论文数: 1.5K
D
David J. Wales
H 指数: 88 · 论文数: 611
J
Jonathan R. Nitschke
H 指数: 81 · 论文数: 641
T
Thorsten Bach
H 指数: 73 · 论文数: 868
查看更多