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J

John M. Herbert

The Ohio State University

64H指数
380论文数
1.9W被引数
收录论文 113
发表时间
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Photocatalytic hydrogen driven (Pd-C\UV\H2) advanced reduction process (ARP) for dechlorination and degradation of chlorotoluron in aqueous environment光催化氢驱动（Pd-C\UV\H2）高级还原过程（ARP）对水环境中氯甲酰胺的脱氯和降解
errJournal of Environmental Management
IF8.4
err2026-06-13
err0
errOAAI
errBakhtiar Ali Samejo; Ar. M. Fonlon; John M. Herbert; Marcin Łapiński; Jakub Karczewski; Sławomir Makowiec; Grzegorz Boczkaj
err分享
err收藏
Energy-Screened Many-Body Expansion for Protein–Ligand Interactions: Examining Convergence for Metalloenzymes Through Seven–Body Interactions能量筛选的多体展开在蛋白-配体相互作用中的应用：通过七体相互作用考察金属酶的收敛性
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-30
err0
errOAAI
errPaige E. Bowling; Dustin R. Broderick; John M. Herbert
err分享
err收藏
Fragme∧t: An Open-Source Framework for Multiscale Quantum Chemistry Based on FragmentationFragment：一种基于片段化的多尺度量子化学开源框架
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2025-12-01
err0
errOAAI
errBroderick, Dustin R.; Bowling, Paige E.; Brandt, Chance; Childress, Sigrun; Shockey, Joshua; Higley, Jonah; Dickerson, Haden; Ahmed, Syed Sharique; Herbert, John M.
err分享
err收藏
Extended Configuration-Interaction Singles Method with Core/Valence Separation (XCIS-CVS): Core-Level Spectra of Open-Shell Molecules扩展的具有核心/价层分离的组态相互作用单激发方法 (XCIS-CVS)：开壳层分子的芯能级谱
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-11-01
err0
PREAI
errOjha, Avik Kumar; Herbert, John M.
err分享
err收藏
Computing L- and M-edge spectra using the DFT/CIS method with spin–orbit coupling使用含自旋-轨道耦合的DFT/CIS方法计算L边和M边光谱
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errAniket Mandal ‡; John M. Herbert
err分享
err收藏
Predicting and Understanding Noncovalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory (vol 54, pg 3679, 2021)利用对称性适配微扰理论的新型形式预测和理解非共价相互作用 (vol 54, pg 3679, 2021)
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2025-03-03
err0
errOAAI
errCarter-Fenk, K; Lao, KU; Herbert, JM
err分享
err收藏
Testing a Heterogeneous Polarizable Continuum Model against Exact Poisson Boundary Conditions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-17
err0
PREAI
errBowling, Paige E.; Gray, Montgomery; Paul, Suranjan K.; Herbert, John M.
err分享
err收藏
Quick-and-Easy Validation of Protein-Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2025-01-03
err2
PREAI
errBowling, Paige E.; Broderick, Dustin R.; Herbert, John M.
err分享
err收藏
Convergent Protocols for Computing Protein-Ligand Interaction Energies Using Fragment-Based Quantum Chemistry
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-01-02
err3
PREAI
errBowling, Paige E.; Broderick, Dustin R.; Herbert, John M.
err分享
err收藏
Importance of Orbital Invariance in Quantifying Electron-Hole Separation and Exciton Size
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-10-16
err2
errOAAI
errHerbert, John M.; Mandal, Aniket
err分享
err收藏
Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-06
err4
PREAI
errGray, Montgomery; Herbert, John M.
err分享
err收藏
A new parameterization of the DFT/CIS method with applications to core-level spectroscopy
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-25
err1
errOAAI
errMandal, Aniket; Berquist, Eric J.; Herbert, John M.
err分享
err收藏
Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-04-22
err7
errOAAI
errBowling, Paige E.; Dasgupta, Saswata; Herbert, John M.
err分享
err收藏
Water-Mediated Charge Transfer and Electron Localization in a Co3Fe2 Cyanide-Bridged Trigonal Bipyramidal Complex
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-03-13
err2
PREAI
errHruska, Emily; Zhu, Quansong; Biswas, Somnath; Fortunato, Matthew T.; Broderick, Dustin R.; Morales, Christine M.; Herbert, John M.; Turro, Claudia; Baker, L. Robert
err分享
err收藏
Spectroscopy and dynamics of the hydrated electron at the water/air interface (vol 15, 182, 2024)
errNATURE COMMUNICATIONS
IF15.7
err2024-01-15
err0
errOAAI
errJordan, Caleb J. C.; Coons, Marc P.; Herbert, John M.; Verlet, Jan R. R.
err分享
err收藏
Spectroscopy and dynamics of the hydrated electron at the water/air interface
errNATURE COMMUNICATIONS
IF15.7
err2024-01-02
err14
errOAAI
errJordan, Caleb J. C.; Coons, Marc P.; Herbert, John M.; Verlet, Jan R. R.
err分享
err收藏
Delocalization error poisons the density-functional many-body expansion
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err0
errOAAI
errBroderick, Dustin R.; Herbert, John M.
err分享
err收藏
Scalable generalized screening for high-order terms in the many-body expansion: Algorithm, open-source implementation, and demonstration多体扩展中高阶项的可扩展广义筛选: 算法，开源实现和演示
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-11-03
err15
errOAAI
errBroderick, Dustin R.; Herbert, John M.
err分享
err收藏
Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory (vol 19, pg 4100, 2023)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-02
err0
errOAAI
errJana, Subrata; Herbert, John M.
err分享
err收藏
Time-Dependent Density Functional Theory for X-ray Absorption Spectra: Comparing the Real-Time Approach to Linear Response
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-14
err10
errOAAI
errHerbert, John M.; Zhu, Ying; Alam, Bushra; Ojha, Avik Kumar
err分享
err收藏

研究方向

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Alán Aspuru‐Guzik
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