Hajime Hirao

Orcid: 0000-0002-8239-3471

According to our database1, Hajime Hirao authored at least 5 papers between 2008 and 2023.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of five.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

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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


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