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Publications by Kazuo Kitaura
An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Energy Gradients in Combined Fragment Molecular Orbital and Polarizable Continuum Model (FMO/PCM) Calculation
Journal of Computational Chemistry
Computational Mathematics
Chemistry
Related publications
Efficient Calculation of Fragment Molecular Orbital Method With Continuous Multipole Method
Journal of Computer Aided Chemistry
Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed With the Fragment Molecular Orbital Method
Large-Scale MP2 Calculations on the Blue Gene Architecture Using the Fragment Molecular Orbital Method
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
A Combined Effective Fragment Potential–fragment Molecular Orbital Method. I. The Energy Expression and Initial Applications
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Intermolecular Interaction Energies in Molecular Crystals of 4-Formylcoumarin Derivatives
Chemical Science Transactions
Analysis of Ligand Binding Specificity of Estrogen Receptor by the Fragment Molecular Orbital Method
Journal of Computer Chemistry, Japan
Rapid and Accurate Assessment of GPCR-ligand Interactions Using the Fragment Molecular Orbital-Based Density-Functional Tight-Binding Method
Journal of Computational Chemistry
Computational Mathematics
Chemistry
An Efficient Method for Structural Identifiability Analysis of Large Dynamic Systems*
IFAC Proceedings Volumes
An Efficient Local Coupled Cluster Method for Accurate Thermochemistry of Large Systems
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
