Hajime Hirao
Orcid: 0000-0002-8239-3471
According to our database1,
Hajime Hirao
authored at least 5 papers
between 2008 and 2023.
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Bibliography
2023
Mechanism of Selective Aromatic Hydroxylation in the Metabolic Transformation of Paclitaxel Catalyzed by Human CYP3A4.
J. Chem. Inf. Model., December, 2023
2018
Analytical hessian fitting schemes for efficient determination of force-constant parameters in molecular mechanics.
J. Comput. Chem., 2018
2016
Partial hessian fitting for determining force constant parameters in molecular mechanics.
J. Comput. Chem., 2016
2011
Computational Studies of Bacterial Resistance to β-Lactam Antibiotics: Mechanism of Covalent Inhibition of the Penicillin-Binding Protein 2a (PBP2a).
J. Chem. Inf. Model., 2011
2008
A reactive bond orbital investigation of the Diels-Alder reaction between 1, 3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses.
J. Comput. Chem., 2008