Herbert JM - Search Results

1

Development of an experimental model of pre-thrombosis in rats based on Wessler's principle using a calibrated venous stasis.

Pottier P, Planchon B, Truchaud F, Leftheriotis G, Herbert JM, Bressolette L, Trewick D, Passuti N. Pottier P, et al. Among authors: herbert jm. Blood Coagul Fibrinolysis. 2003 Jan;14(1):3-9. doi: 10.1097/00001721-200301000-00002. Blood Coagul Fibrinolysis. 2003. PMID: 12544721

2

Efficacy of pentasaccharide on a prethrombosis model based on a calibrated stasis by the increase in up-stream venous pressure.

Pottier P, Planchon B, Truchaud F, Leftheriotis G, Herbert JM, Bressollette L, Passuti N. Pottier P, et al. Among authors: herbert jm. Blood Coagul Fibrinolysis. 2003 Sep;14(6):587-91. doi: 10.1097/00001721-200309000-00011. Blood Coagul Fibrinolysis. 2003. PMID: 12960613

3

Quick-and-Easy Validation of Protein-Ligand Binding Models Using Fragment-Based Semiempirical Quantum Chemistry.

Bowling PE, Broderick DR, Herbert JM. Bowling PE, et al. Among authors: herbert jm. J Chem Inf Model. 2025 Jan 3. doi: 10.1021/acs.jcim.4c01987. Online ahead of print. J Chem Inf Model. 2025. PMID: 39749961

4

Convergent Protocols for Computing Protein-Ligand Interaction Energies Using Fragment-Based Quantum Chemistry.

Bowling PE, Broderick DR, Herbert JM. Bowling PE, et al. Among authors: herbert jm. J Chem Theory Comput. 2025 Jan 2. doi: 10.1021/acs.jctc.4c01429. Online ahead of print. J Chem Theory Comput. 2025. PMID: 39745995

5

Delocalization error poisons the density-functional many-body expansion.

Broderick DR, Herbert JM. Broderick DR, et al. Among authors: herbert jm. Chem Sci. 2024 Oct 30;15(47):19893-19906. doi: 10.1039/d4sc05955g. eCollection 2024 Dec 4. Chem Sci. 2024. PMID: 39568898 Free PMC article.

6

Importance of Orbital Invariance in Quantifying Electron-Hole Separation and Exciton Size.

Herbert JM, Mandal A. Herbert JM, et al. J Chem Theory Comput. 2024 Nov 12;20(21):9446-9463. doi: 10.1021/acs.jctc.4c01085. Epub 2024 Oct 16. J Chem Theory Comput. 2024. PMID: 39412175

7

Comment on "Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided".

Gray M, Bowling PE, Herbert JM. Gray M, et al. Among authors: herbert jm. J Phys Chem A. 2024 Sep 12;128(36):7739-7745. doi: 10.1021/acs.jpca.4c00283. Epub 2024 Aug 27. J Phys Chem A. 2024. PMID: 39190891 No abstract available.

8

Correction: Visualizing and characterizing excited states from time-dependent density functional theory.

Herbert JM. Herbert JM. Phys Chem Chem Phys. 2024 Sep 11;26(35):23503-23504. doi: 10.1039/d4cp90138j. Phys Chem Chem Phys. 2024. PMID: 39177031

9

Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes.

Gray M, Herbert JM. Gray M, et al. Among authors: herbert jm. J Chem Phys. 2024 Aug 7;161(5):054114. doi: 10.1063/5.0206533. J Chem Phys. 2024. PMID: 39105555

10

A new parameterization of the DFT/CIS method with applications to core-level spectroscopy.

Mandal A, Berquist EJ, Herbert JM. Mandal A, et al. Among authors: herbert jm. J Chem Phys. 2024 Jul 28;161(4):044114. doi: 10.1063/5.0220535. J Chem Phys. 2024. PMID: 39051834

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