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Publications by Spencer R. Pruitt
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
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The Linearly Scaling 3D Fragment Method for Large Scale Electronic Structure Calculations
Linear Scaling 3D Fragment Method for Large-Scale ElectronicStructure Calculations
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
Molecular Electrostatic Potential and Electron Density of Large Systems in Solution Computed With the Fragment Molecular Orbital Method
Efficient Calculation of Fragment Molecular Orbital Method With Continuous Multipole Method
Journal of Computer Aided Chemistry
A Combined Effective Fragment Potential–fragment Molecular Orbital Method. I. The Energy Expression and Initial Applications
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
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Physical
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
Approaching the Theoretical Limit in Periodic Local MP2 Calculations With Atomic-Orbital Basis Sets: The Case of LiH
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
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Physical
