Study on Raffenetti's P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment

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概要

• 論文の詳細を見る
• 2008-12-15

著者

• Teramae Hiroyuki

  Department Of Chemistry Faculty Of Science Josai University

• Ohtawara Kazushige

  Atr Adaptive Communication Research Laboratories

関連論文

• Study on Raffenettis P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment
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• Molecular Structure Optimization and Molecular Dynamics Using Hamiltonian Algorithm : Structure of Benzodiazepine Minor Tranquilizers : Towards Non-Empirical Drug Design
• Study on Raffenetti's P File Format in Conventional Ab Initio Self-Consistent-Field Molecular Orbital Calculations in Parallel Computational Environment
• A Molecular Orbital Study of the Dipole Moment of HF, LiH, and HeH^+
• A through space/bond interaction analysis on the shape of band structure of polynitrilomethylidyne.

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