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C

Christoph R. Jacob

technische universität braunschweig

42H指数
217论文数
5.6K被引数
收录论文 63
发表时间
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Uncertainty Quantification for In Silico Chemistry在硅化学中的不确定度量化
errChemical Reviews
IF55.8
err2026-03-04
err0
errOAAI
errTom Frömbgen; Elizaveta Surzhikova; Jürgen Dölz; Jonny Proppe; Barbara Kirchner; Christoph R. Jacob
err分享
err收藏
The density-based many-body expansion for poly-peptides and proteins基于密度的多体展开式用于多肽和蛋白质
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
errOAAI
errVornweg, Johannes R.; Maier, Toni M.; Jacob, Christoph R.
err分享
err收藏
Biocatalytic Ether Lipid Synthesis by an Archaeal Glycerolprenylase
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-10-02
err0
errOAAI
errKaspar, Felix; Eilert, Lea; Staar, Sophie; Oung, Sangwar Wadtey; Wolter, Mario; Ganskow, Charity S. G.; Kemper, Sebastian; Klahn, Philipp; Jacob, Christoph R.; Blankenfeldt, Wulf; Schallmey, Anett
err分享
err收藏
Interoperable workflows by exchanging grid-based data between quantum-chemical program packages
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-04-30
err3
errOAAI
errFocke, Kevin; De Santis, Matteo; Wolter, Mario; Martinez, Jessica A. B.; Vallet, Valerie; Pereira Gomes, Andre Severo; Olejniczak, Malgorzata; Jacob, Christoph R.
err分享
err收藏
Nucleoside Phosphorylases make N7-xanthosine核苷磷酸化酶使N7-xanthosine
errNATURE COMMUNICATIONS
IF15.7
err2024-04-29
err3
errOAAI
errWestarp, Sarah; Brandt, Felix; Neumair, Lena; Betz, Christina; Dagane, Amin; Kemper, Sebastian; Jacob, Christoph R.; Neubauer, Peter; Kurreck, Anke; Kaspar, Felix
err分享
err收藏
Subsystem density-functional theory (update)子系统密度泛函理论 (更新)
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2024-01-30
err8
PREAI
errJacob, Christoph R.; Neugebauer, Johannes
err分享
err收藏
A simple and consistent quantum-chemical fragmentation scheme for proteins that includes two-body contributions
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-05-12
err8
errOAAI
errVornweg, Johannes R.; Wolter, Mario; Jacob, Christoph R.
err分享
err收藏
Biased Borate Esterification during Nucleoside Phosphorylase-Catalyzed Reactions: Apparent Equilibrium Shifts and Kinetic Implications
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2023-02-24
err2
errOAAI
errKaspar, Felix; Brandt, Felix; Westarp, Sarah; Eilert, Lea; Kemper, Sebastian; Kurreck, Anke; Neubauer, Peter; Jacob, Christoph R. R.; Schallmey, Anett
err分享
err收藏
Quantum-chemical calculation of two-dimensional infrared spectra using localized-mode VSCF/VCI
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-12-29
err2
errOAAI
errBrueggemann, Julia; Wolter, Mario; Jacob, Christoph R.
err分享
err收藏
Systematic QM Region Construction in QM/MM Calculations Based on Uncertainty Quantification基于不确定性量化的QM/MM计算中的系统QM区域构建
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-10
err17
errOAAI
errBrandt, Felix; Jacob, Christoph R.
err分享
err收藏
Density-Based Many-Body Expansion as an Efficient and Accurate Quantum-Chemical Fragmentation Method: Application to Water Clusters
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-01
err20
PREAI
errSchmitt-Monreal, Daniel; Jacob, Christoph R.
err分享
err收藏
Electrocatalytic Activation of Donor-Acceptor Cyclopropanes and Cyclobutanes: An Alternative C(sp3)-C(sp3) Cleavage Mode供体-受体环丙烷和环丁烷的电催化活化: 另一种C(sp3)-C(sp3) 裂解模式
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-06-16
err69
errOAAI
errKolb, Simon; Petzold, Martin; Brandt, Felix; Jones, Peter G.; Jacob, Christoph R.; Werz, Daniel B.
err分享
err收藏
Systematic Partitioning of Proteins for Quantum-Chemical Fragmentation Methods Using Graph Algorithms
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-02-16
err6
errOAAI
errWolter, Mario; von Looz, Moritz; Meyerhenke, Henning; Jacob, Christoph R.
err分享
err收藏
A new ultrafast energy funneling material harvests three times more diffusive solar energy for GaInP photovoltaics
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2020-12-14
err4
errOAAI
errWillich, Marcel M.; Wegener, Lucas; Vornweg, Johannes; Hohgardt, Manuel; Nowak, Julia; Wolter, Mario; Jacob, Christoph R.; Walla, Peter Jomo
err分享
err收藏
Environmental Effects with Frozen-Density Embedding in Real-Time Time-Dependent Density Functional Theory Using Localized Basis Functions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-27
err14
errOAAI
errDe Santis, Matteo; Belpassi, Leonardo; Jacob, Christoph R.; Gomes, Andre Severo Pereira; Tarantelli, Francesco; Visscher, Lucas; Storchi, Loriano
err分享
err收藏
The DIRAC code for relativistic molecular calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-26
err252
errOAAI
errSaue, Trond; Bast, Radovan; Gomes, Andre Severo Pereira; Jensen, Hans Jorgen Aa; Visscher, Lucas; Aucar, Ignacio Agustin; Di Remigio, Roberto; Dyall, Kenneth G.; Eliav, Ephraim; Fasshauer, Elke; Fleig, Timo; Halbert, Loic; Hedegard, Erik Donovan; Helmich-Paris, Benjamin; Ilias, Miroslav; Jacob, Christoph R.; Knecht, Stefan; Laerdahl, Jon K.; Vidal, Marta L.; Nayak, Malaya K.; Olejniczak, Malgorzata; Olsen, Jogvan Magnus Haugaard; Pernpointner, Markus; Senjean, Bruno; Shee, Avijit; Sunaga, Ayaki; van Stralen, Joost N. P.
err分享
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Electronic Structure of the Hieber Anion [Fe(Co)3(NO)]- Revisited by X-ray Emission and Absorption Spectroscopy
errINORGANIC CHEMISTRY
IF4.7
err2020-03-03
err16
PREAI
errBurkhardt, Lukas; Vukadinovic, Yannik; Nowakowski, Michal; Kalinko, Aleksandr; Rudolph, Julian; Carlsson, Per-Anders; Jacob, Christoph R.; Bauer, Matthias
err分享
err收藏
Towards theoretical spectroscopy with error bars: systematic quantification of the structural sensitivity of calculated spectra走向具有误差条的理论光谱学: 计算光谱的结构灵敏度的系统量化
errCHEMICAL SCIENCE
IF7.4
err2020-01-01
err13
errOAAI
errBergmann, Tobias G.; Welzel, Michael O.; Jacob, Christoph R.
err分享
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New density-functional approximations and beyond: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err1
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao
err分享
err收藏
Challenges for large scale simulation: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err3
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Civalleri, Bartolomeo; Cole, Daniel J.; Csanyi, Gabor; David, Gregoire; Gidopoulos, Nikitas I.; Gowland, Duncan; Helgaker, Trygve; Herbst, Michael F.; Hourahine, Ben; Irons, Tom J. P.; Jacob, Christoph R.; Loos, Pierre-Francois; Mehta, Nisha; Mulay, Manasi R.; Neugebauer, Johannes; Pernal, Katarzyna; Pribram-Jones, Aurora; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Sirbu, Dumitru; Skylaris, Chris-Kriton; Truhlar, Donald G.; Wetherell, Jack; Yang, Weitao
err分享
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研究方向

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