Fragmentation Position Dependency of the Total Energy and Atomic Charge Difference between the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of (-)-Epicatechin Gallate with STO-3G Basis Set

スポンサーリンク

概要

• 論文の詳細を見る
• Chemical Society of Japanの論文
• 2007-04-15

著者

• TAMURA Katsuhiro

  Department of Chemistry, University of Tsukuba

• INADOMI Yuichi

  Research Institute for Information Technology, Kyushu University

• NAGASHIMA Umpei

  Department of Chemistry, University of Tsukuba

• Tamura Katsuhiro

  Department Of Chemistry University Of Tsukuba

• Nagashima Umpei

  Department Of Chemistry University Of Tsukuba

• Tamura Katsuhiro

  Department Of Chemistry Tsukuba University

• Inadomi Yuichi

  Research Institute For Information Technology Kyushu University

• Inadomi Yuichi

  Research Institute Of Computational Science National Institute Of Advanced Industrial Science And Te

• Tamura Katsuhiro

  Department Of Chemical Science And Technology

• Nagashima Umpei

  Department Of Chemistry Tsukuba University

関連論文

• FMO-MO Method as an Initial Guess Generation for SCF Calculation : Case of (-)-Epicatechin Gallate
• Effect of Aging on B-Cell Function and Replication in Rat Pancreas After 90% Pancreatectomy
• Impaired Compensatory Adaption to B-Cell Mass Reduction in Young Spontaneously Hypertensive Rats (SHR)
• Effects of Low-Power He-Ne Laser on the Growth of Yeast under High Pressure
• Spherical Charge Analysis with Ab Initio Wave Functions : Modefied Oxidation Number of Open Shell Molecule, Ch_2
• Fragmentation Position Dependency of the Total Energy and Atomic Charge Difference between the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of (-)-Epicatechin Gallate with STO-3G Basis Set
• S1d1-7 DNA and Estrogen Receptor Interaction Revealed by the Fragment Molecular Orbital Method(S1-d1: "Structure and Function of Weak Interactions in Protein Molecules",Symposia,Abstract,Meeting Program of EABS & BSJ 2006)
• Tables of Topological Characteristics of Polyhedral Graphs with Eight Vertices
• Ab Initio MO-MD Simulation Based on the Fragment MO Method : A Case of (-)-Epicatechin Gallate with STO-3G Basis Set
• Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method : A Case of a Surface for Ring Rotation of (-)-Epicatechin Gallate Using the STO-3G Basis Set
• Effects of Pressure and Ethanol on the Phase Behavior of Dipalmitoylphosphatidylcholine Multilamellar Vesicles
• SUCCESSFULLY PERFORMED PYLORUS PRESERVING PANCREATODUODENECTOMY FOR AMPULLARY CARCINOMA ASSOCIATED WITH CELIAC AXIS OCCLUSION
• THERMODYNAMICS OF ANESTHETIC EFFECT ON THE PHASE TRANSITIONS OF LIPID MEMBRANES
• Effect of High-Pressure Gas on Yeast Growth
• Molecular Geometry of the Photooxygenation Product of Diphenanthro[5,4,3-abcd:5',4',3'-jklm]perylene
• Effect of Stresses on the Growth Thermogram of Yeast
• Response of Bacillus subtilis and Klebsiella pneumoniae to High Pressure
• Effects of Gas Pressurization with Ethylene on the Ultrastructure of the Yeast Saccharomyces cerevisiae
• Effects of Compressed Hydrocarbon Gases on the Growth Activity of Saccharomyces cerevisiae
• Solvent Effect under High Pressure. Participation of Solvent in the Activated Complex in the Menschutkin Reaction

もっと見る 閉じる

スポンサーリンク