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

索引(INDEX)
Page A-At | At-BP | BP-Bu | Bu-Cl | Cl-De | De-El | El-Fi | Fi-He | HF-Hy
I-Me | Me-Mo | Mo-Mø | Mø-Pa | Pe-Q | R-Si | SM-Sp | Sp-Su | Su-Vi |Vi-Z

  delete molecule 47,111
  export 112
  new 19,109
  new molecule 41,111
  open 33,109
  page setup 113
  print 113
  save 110
  save as 33,111

Force fields; See MMFF, SYBYL

 
Fourier series, for describing torsional potential 49
Free valence 20,137

Freeze Center; See Geometry menu, freeze center

 

Frequencies; See Vibrational frequencies

 
G

G2, G3, G3(MP2) models

157,199
Geometry menu  
  align molecules 43,133
  define plane 131
  define point 130
  freeze center 72,131
 
 

measure angle

23,128
  measure dihedral 23,129
  measure distance 23,128
  set torsions 132
Ghose, Crippen LogP model 161
Global minimum 34
Global Model; See Model menu, global model  
Global rotate 106

Graphics module, description; See Spartan'02, graphics module

 
H  
Hartree-Fock calculations; SeeHF/3-21G(*) calculations, HF/6-31G* calculations  
Hartree-Fock models, range
of application
200
Heat of formation  
  display of 174
  units 211
Help menu  
  on-line help 195