Spartan
Main Page
Acknowledgements
Scope of this Guide
Table of Contents
SECTION I
  Chapter 1
SECTION II
  Chapter 2
  Chapter 3
  Chapter 4
  Chapter 5
  Chapter 6
  Chapter 7
SECTION III
  Chapter 8
  Chapter 9
  Chapter 10
  Chapter 11
  Chapter 12
  Chapter 13
  Chapter 14
  Chapter 15
  Chapter 16
  Chapter 17
APPENDIX A
APPENDIX B
APPENDIX C
APPENDIX D
APPENDIX E
Index
目次(Table of Contents)
Page 1 | 2 | 3 | 4 | 5

Appendix A 機能と限界(Capabilities and Limitations) 197
  Essential Edition 197
  Molecular Mechanics 197
  Semi-Empirical 197
  Hartree-Fock 198
  Density Functional 198
  Møller-Plesset 199
  Advanced Correlated 199
  Properties 200
  Graphics 200
     
Appendix B メニュー(Menus) 201
     
Appendix C 通常用いるプログラムオプション(Commonly-Used Program Options) 205
  Conformational Searching 205
  Equilibrium and Transition-State Geometry Optimization 206
  Quantum Chemical Calculations 207
  Semi-Empirical Calculations 208
  Property Calculations 209
     
Appendix D 単位(Units)

211

     
Appendix E 引用文献(Citation) 213
     
Index   215