Index

Area

Build: 2. | 2. | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.2.2 | 2.1.2.3 | 2.2.1 | 2.2.2 | 2.3.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.2.1 | 4.2.1 | 4.3.1 | 4.3.1 | 4.3.5
Segment Buffer: 2. | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.2 | 2.2 | 2.2 | 2.2 | 2.2.1 | 2.2.2 | 2.2.2 | 2.2.2 | 2.2.3 | 4.1.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.2.1 | 4.2.1 | 4.3.1 | 4.3.5 | 4.3.5 | 4.3.5
View: 3.1.2.5

atom labels

2.1.1 | 2.1.2.6 | 2.4.3

Building Modes

Auto Selection: 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.2.3 | 2.3 | 2.3 | 2.3.2 | 2.3.2 | 2.3.2
Auto Torsion: 2.1.2.3 | 2.1.2.3 | 2.3 | 2.3 | 2.3.1 | 2.3.1
restricted: 1. | 2.1.2.3 | 2.1.2.3 | 2.3 | 2.3.3 | 2.3.3 | 2.3.3 | 4.3.5
unrestricted: 1. | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.2.3 | 2.1.2.3 | 2.3 | 2.3.3 | 2.3.3 | 2.3.3 | 2.3.3 | 2.4.3

coordinate axes

2.1.1 | 2.1.1 | 2.1.2.6

drawing plane

2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.2.3 | 2.1.2.3

dynamics trajectory

1. | 2.6.3 | 3.1.1 | 3.1.1 | 3.1.1 | 3.5

electron density

1. | 2.6.3 | 3.1.1 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2

electrostatic potential

1. | 2.6.3 | 3.1.1 | 3.2 | 3.2 | 3.2

force field

Sybyl5.2: 2.1.1 | 2.1.2.1 | 2.1.2.4 | 2.1.2.4 | 2.1.2.8 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.2 | 2.3.3 | 2.3.3 | 2.4 | 2.4.2 | 2.4.3 | 2.4.3 | 4.1 | 4.2.1 | 4.3.5
Universal: 2.1.1 | 2.1.2.1 | 2.1.2.4 | 2.1.2.4 | 2.1.2.8 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.1 | 2.2.2 | 2.3.3 | 2.3.3 | 2.4 | 2.4.2 | 2.4.3 | 2.4.3

HOMO

3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2

hydrogen hide

2.1.1 | 2.1.2.6

IR spectrum

1. | 2.6.3 | 3.1.1 | 3.3 | 3.3

LUMO

3.2

NMR spectrum

1. | 2.6.3 | 3.1.1 | 3.1.1 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 4.2 | 4.3 | 4.3.2 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.4 | 4.3.6 | 4.3.6 | 4.3.7 | 4.3.7 | 4.3.8 | 4.3.8 | 4.3.8

Operation Modes

Build: 1. | 1.1 | 2. | 3. | 3.1.1 | 3.1.1 | 3.2
View: 1. | 1.1 | 3. | 4.1.4 | 4.2.4 | 4.3.4

optimization

2.1.1 | 2.1.2.4 | 2.2.1 | 2.4 | 2.4.2 | 2.4.2 | 2.4.2 | 2.4.2 | 2.4.2 | 2.4.2 | 2.4.3 | 2.5 | 4.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.2.1 | 4.3.5

options: 2.4 | 2.4.2

optimization history

1. | 2.6.3 | 3.1.1 | 3.1.1 | 3.1.2.4 | 3.6

orbitals

1. | 2.6.3 | 3.1.1 | 3.1.1 | 3.1.2.4 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 4.1 | 4.1.4 | 4.1.4 | 4.1.4 | 4.2.4 | 4.2.4

Raman spectrum

1. | 2.6.3 | 3.1.1 | 3.3 | 3.3 | 3.3

symmetry

2.1.1 | 2.1.2.5 | 2.5 | 2.5 | 2.5 | 2.5 | 2.5.1 | 3.1.1 | 3.1.1 | 3.1.2.3 | 4.2.1 | 4.2.1 | 4.3 | 4.3.1 | 4.3.5 | 4.3.8

options: 2.5.1 | 2.5.1

Tools

Add Valence: 2.1.1 | 2.3.3
Add/Attach/Connect: 2.1.1 | 2.1.1 | 4.1.1 | 4.2.1 | 4.2.1 | 4.2.1 | 4.2.1 | 4.3.1 | 4.3.1 | 4.3.5 | 4.3.5
Bond Angle: 2.1.1
Bond Break: 2.1.1
Bond Fuse: 2.1.1 | 4.3.1
Bond Length: 2.1.1 | 2.1.1
Bond Torsion: 2.1.1 | 2.1.1
Center All: 2.1.1
Center on Atom: 2.1.1
Check Symmetry: 2.1.1 | 2.1.2.5 | 2.5 | 2.5 | 4.1.1
Copy: 2.1.1 | 2.1.4
Cut: 2.1.1 | 2.1.1 | 2.1.2.2 | 2.1.4
Default: 2.1.1 | 2.1.1 | 2.1.1 | 4.1.1 | 4.1.1 | 4.2.1 | 4.3.1 | 4.3.5 | 4.3.5
Define Draw Plane: 2.1.1 | 2.1.1
Face Front: 2.1.1
Hydrogen Fill: 2.1.1 | 2.1.2.3 | 2.1.4 | 4.1.1
Info: 2.1.1 | 2.1.1
Move: 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1
Optimize: 2.1.1
Paste: 2.1.1 | 2.1.1 | 2.1.2.2 | 2.1.2.2 | 2.1.4
Redo: 2.1.1 | 2.1.1 | 2.1.2.2 | 2.1.2.2 | 2.1.2.2 | 2.1.4
Remove Valence: 2.1.1
Reorient: 2.1.1 | 2.1.1
Reorient Selection: 2.1.1 | 4.3.1
Replace: 2.1.1 | 2.3.3
Rotate About a Bond: 2.1.1
Select: 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1
Select All: 2.1.1 | 2.1.4
Select None: 2.1.1 | 2.1.4
Select Segment: 2.1.1
Snap to Plane: 2.1.1
Undo: 2.1.1 | 2.1.1 | 2.1.1 | 2.1.2.2 | 2.1.2.2 | 2.1.2.2 | 2.1.4
Zoom: 2.1.1 | 2.1.1

VCD spectrum

1. | 2.6.3 | 3.1.1 | 3.3 | 3.3 | 4.2 | 4.2.4

vibrational frequencies

1. | 3.1.1 | 3.1.2.2 | 4.1 | 4.1.4 | 4.3.2

Windows

Build

Dynamics Trajectory

3.1.1 | 3.1.2.4 | no title | 3.5

Info

2.1.1 | 2.1.1 | 2.1.2.8

NMR

3.1.1 | 3.1.2.2 | 3.1.2.2 | 3.1.2.4 | no title | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 3.4 | 4.3.4

Optimization History

3.1.1 | 3.1.2.2 | 3.1.2.2 | 3.1.2.4 | no title | 3.6 | 3.6 | 3.6

Optimization Options

2.1.2.4

Orbitals

3.1.1 | 3.1.2.2 | 3.1.2.2 | 3.1.2.4 | no title | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 4.1.4 | 4.2.4 | 4.2.4

Segment

1. | 2. | 2. | 2.1.1 | 2.1.1 | 2.1.2.8 | 2.1.2.8 | 2.1.2.8 | no title | 2.2 | 2.2 | 2.2.1 | 2.2.1 | 2.2.2 | 2.3.3 | 4.1.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.1.1 | 4.2.1 | 4.2.1 | 4.2.1 | 4.2.1 | 4.2.1 | 4.3.1 | 4.3.1 | 4.3.5 | 4.3.5

Building Blocks: 2. | 2.1.1 | 2.2 | 2.2.1 | 2.2.1 | 2.2.2 | 2.3.3 | 2.4.3 | 4.1.1 | 4.3.1
Clipboard: 2. | 2. | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.1.1 | 2.2.2 | 2.2.3 | 2.2.3
Fragments: 2. | 2.2 | 2.2.2 | 2.2.2 | 2.2.2 | 4.1.1 | 4.3.1 | 4.3.5

Symmetry Options

2.1.2.5

Vibrational Frequencies

3.1.2.2 | 3.1.2.2 | 3.1.2.4 | no title | 3.3 | 3.3 | 3.3 | 3.3 | 3.3 | 4.1.4 | 4.1.4 | 4.1.4 | 4.2.4 | 4.2.4

View

1. | 3. | no title | 3.1.2.2 | 3.1.2.2 | 3.1.2.3 | 3.1.2.3 | 3.1.2.5 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.2 | 3.3 | 3.3 | 3.3 | 3.4 | 3.4 | 3.4 | 3.4 | 3.5 | 3.5 | 3.6 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.1.4 | 4.2.4 | 4.2.4 | 4.2.4 | 4.2.4 | 4.2.4 | 4.2.4 | 4.2.4 | 4.3.4 | 4.3.4

PQSMol 1.2, Parallel Quantum Solutions, LLC