ChemWiki - User contributions [en]

Rep:MOD:mjr116

2017-03-15T13:17:05Z

Mjr116: /* F2 */

== NH3 ==
Molecule: NH3

Calulation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final Energy E(RB3LYP) in au: -56.55776873

RMS Gradient: 0.00000485

Point Group: C3V

N-H Bond Distance: 1.01798

H-N-H Bond Angle: 105.741

<pre>
Item Value Threshold Converged?
Maximum Force 0.000004 0.000450 YES
RMS Force 0.000004 0.000300 YES
Maximum Displacement 0.000072 0.001800 YES
RMS Displacement 0.000035 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116nh3.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116nh3.log</uploadedFileContents>
</jmolApplet></jmol>

[[File:Mjr116nh3displayvibrations.png]]

how many modes do you expect from the 3N-6 rule?

12

which modes are degenerate (ie have the same energy)?

2 and 3
5 and 6

which modes are "bending" vibrations and which are "bond stretch" vibrations?

1 - bending
2 - bending
3 - bending
4 - stretch
5 - stretch
6 - stetch

which mode is highly symmetric?

4

one mode is known as the "umbrella" mode, which one is this?

1

how many bands would you expect to see in an experimental spectrum of gaseous ammonia?

6

N - atom charge: -1.125
H - atom charge: 0.375

== N2 ==

Molecule: N2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final energy E(RB3LYP) in au: -109.52412868

RMS gradient: 0.00000365

Point Group: D*H

N-N bond length: 1.10550

<pre>
Item Value Threshold Converged?
Maximum Force 0.000006 0.000450 YES
RMS Force 0.000006 0.000300 YES
Maximum Displacement 0.000002 0.001800 YES
RMS Displacement 0.000003 0.001200 YES
</pre>

Frequencies:
2457.31

The optimisation file is linked to [[Media:Mjr116n2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116n2.log</uploadedFileContents>
</jmolApplet></jmol>

==H2==

Molecule: H2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -1.09691172

RMS Gradient: 0.05487992

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000211 0.000450 YES
RMS Force 0.000211 0.000300 YES
Maximum Displacement 0.000278 0.001800 YES
RMS Displacement 0.000393 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116h2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116h2.log</uploadedFileContents>
</jmolApplet></jmol>

== Energy for the reaction ==

N2 + 3H2 -> 2NH3

E(NH3)= -56.55776873

2*E(NH3)= -113.11553746

E(N2)= -109.52412868

E(H2)= -1.09691172

3*E(H2)= -3.29073516

ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= -113.11553746 - (-109.52412868 + -3.29073516) = -0.30067362

Energy for converting hydrogen and nitrogen gas into ammonia gas in kJ/mol = -789.418649445

The ammonia product is therefore more stable.

== F2 ==

Molecule: F2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -199.48874381

RMS Gradient: 0.06248728

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000250 0.000450 YES
RMS Force 0.000250 0.000300 YES
Maximum Displacement 0.000308 0.001800 YES
RMS Displacement 0.000435 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116f2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116f2.log</uploadedFileContents>
</jmolApplet></jmol>

Frequency 1063.53

Charge: 0.0000

Orbitals

[[File:Mjr1162sigmag.png]]

This is the 2σ_g F2 orbital. One electron from each of the 2s atomic orbitals on the Fluorine atoms combine in-phase to make the 2σ_g molecular orbital. This molecular is an occupied orbital and it is a bonding MO. The electron density is spread between the two atoms and therefore this MO will have a stabilising effect on the bonding between the two F atoms.

[[File:mjr1162sigmaustar.png]]

This is the 2σ_u* orbital. Two electrons contribute to this molecular orbital, one from each of the 2s atomic orbitals of the fluorine atoms. This is an occupied molecular orbital and it is a result of the out of phase combination of orbitals, therefore this is an antibonding molecular orbital. This reduces the stability of the bond between the F atoms as the electron density is over the atoms but there is a node (gap) between the two atoms of lower electron density.

[[File:Mjr1163sigmag.png]]

This is the 3σ_g F2 molecular orbital. It is the result of the in-phase combination of the 2p orbitals on the fluorine atoms, therefore this is an occupied bonding MO. The electron density is in between the two nuclei therefore this MO contributes to the stability of the bonding.

[[File:Mjr1161piu.png]]

This is the 1π_u F2 molecular orbital. It is the result of in-phase combination of the 2p orbitals, and is therefore an occupied bonding MO which contributes to the stability of the molecule.

[[File:Mjr1161pigstar.png]]

This is the 1π_g* F2 molecular orbital. It is an anti-bonding orbital resulting from the out of phase combination of the 2p atomic orbitals. This is the HOMO (Highest Occupied Molecular Orbital) of the F¬2 molecule.

[[File:Mjr1163sigmaustar.png]]
This is the 3σ_u* F2 molecular orbital. It is an anti-bonding MO resulting from the out of phase combination of the 2p atomic orbitals of the fluorine atoms. It is the LUMO (Lowest Unoccupied Molecular Orbital) of the F2 molecule.

File:Mjr1163sigmaustar.png

2017-03-15T13:15:29Z

Mjr116: 3 sigma u star f2 orbital

3 sigma u star f2 orbital

File:Mjr1161pigstar.png

2017-03-15T13:12:22Z

Mjr116: 1 pi g star f2 orbital

1 pi g star f2 orbital

Rep:MOD:mjr116

2017-03-15T13:08:12Z

Mjr116: /* F2 */

File:Mjr1161piu.png

2017-03-15T13:07:54Z

Mjr116: 1 pi u f2 orbital

1 pi u f2 orbital

Rep:MOD:mjr116

2017-03-15T13:03:33Z

Mjr116: /* F2 */

== NH3 ==
Molecule: NH3

Calulation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final Energy E(RB3LYP) in au: -56.55776873

RMS Gradient: 0.00000485

Point Group: C3V

N-H Bond Distance: 1.01798

H-N-H Bond Angle: 105.741

<pre>
Item Value Threshold Converged?
Maximum Force 0.000004 0.000450 YES
RMS Force 0.000004 0.000300 YES
Maximum Displacement 0.000072 0.001800 YES
RMS Displacement 0.000035 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116nh3.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116nh3.log</uploadedFileContents>
</jmolApplet></jmol>

[[File:Mjr116nh3displayvibrations.png]]

how many modes do you expect from the 3N-6 rule?

12

which modes are degenerate (ie have the same energy)?

2 and 3
5 and 6

which modes are "bending" vibrations and which are "bond stretch" vibrations?

1 - bending
2 - bending
3 - bending
4 - stretch
5 - stretch
6 - stetch

which mode is highly symmetric?

4

one mode is known as the "umbrella" mode, which one is this?

1

how many bands would you expect to see in an experimental spectrum of gaseous ammonia?

6

N - atom charge: -1.125
H - atom charge: 0.375

== N2 ==

Molecule: N2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final energy E(RB3LYP) in au: -109.52412868

RMS gradient: 0.00000365

Point Group: D*H

N-N bond length: 1.10550

<pre>
Item Value Threshold Converged?
Maximum Force 0.000006 0.000450 YES
RMS Force 0.000006 0.000300 YES
Maximum Displacement 0.000002 0.001800 YES
RMS Displacement 0.000003 0.001200 YES
</pre>

Frequencies:
2457.31

The optimisation file is linked to [[Media:Mjr116n2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116n2.log</uploadedFileContents>
</jmolApplet></jmol>

==H2==

Molecule: H2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -1.09691172

RMS Gradient: 0.05487992

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000211 0.000450 YES
RMS Force 0.000211 0.000300 YES
Maximum Displacement 0.000278 0.001800 YES
RMS Displacement 0.000393 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116h2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116h2.log</uploadedFileContents>
</jmolApplet></jmol>

== Energy for the reaction ==

N2 + 3H2 -> 2NH3

E(NH3)= -56.55776873

2*E(NH3)= -113.11553746

E(N2)= -109.52412868

E(H2)= -1.09691172

3*E(H2)= -3.29073516

ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= -113.11553746 - (-109.52412868 + -3.29073516) = -0.30067362

Energy for converting hydrogen and nitrogen gas into ammonia gas in kJ/mol = -789.418649445

The ammonia product is therefore more stable.

== F2 ==

Molecule: F2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -199.48874381

RMS Gradient: 0.06248728

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000250 0.000450 YES
RMS Force 0.000250 0.000300 YES
Maximum Displacement 0.000308 0.001800 YES
RMS Displacement 0.000435 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116f2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116f2.log</uploadedFileContents>
</jmolApplet></jmol>

Frequency 1063.53

Charge: 0.0000

Orbitals

[[File:Mjr1162sigmag.png]]

This is the 2σ_g F2 orbital. One electron from each of the 2s atomic orbitals on the Fluorine atoms combine in-phase to make the 2σ_g molecular orbital. This molecular is an occupied orbital and it is a bonding MO. The electron density is spread between the two atoms and therefore this MO will have a stabilising effect on the bonding between the two F atoms.

[[File:mjr1162sigmaustar.png]]

This is the 2σ_u* orbital. Two electrons contribute to this molecular orbital, one from each of the 2s atomic orbitals of the fluorine atoms. This is an occupied molecular orbital and it is a result of the out of phase combination of orbitals, therefore this is an antibonding molecular orbital. This reduces the stability of the bond between the F atoms as the electron density is over the atoms but there is a node (gap) between the two atoms of lower electron density.

[[File:Mjr1163sigmag.png]]

This is the 3σ_g F2 molecular orbital. It is the result of the in-phase combination of the 2p orbitals on the fluorine atoms, therefore this is a bonding MO. The electron density is in between the two nuclei therefore this MO contributes to the stability of the bonding.

File:Mjr1163sigmag.png

2017-03-15T13:03:04Z

Mjr116: 3 sigma g orbital of f2

3 sigma g orbital of f2

Rep:MOD:mjr116

2017-03-15T13:02:34Z

Mjr116: /* F2 */

== NH3 ==
Molecule: NH3

Calulation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final Energy E(RB3LYP) in au: -56.55776873

RMS Gradient: 0.00000485

Point Group: C3V

N-H Bond Distance: 1.01798

H-N-H Bond Angle: 105.741

<pre>
Item Value Threshold Converged?
Maximum Force 0.000004 0.000450 YES
RMS Force 0.000004 0.000300 YES
Maximum Displacement 0.000072 0.001800 YES
RMS Displacement 0.000035 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116nh3.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116nh3.log</uploadedFileContents>
</jmolApplet></jmol>

[[File:Mjr116nh3displayvibrations.png]]

how many modes do you expect from the 3N-6 rule?

12

which modes are degenerate (ie have the same energy)?

2 and 3
5 and 6

which modes are "bending" vibrations and which are "bond stretch" vibrations?

1 - bending
2 - bending
3 - bending
4 - stretch
5 - stretch
6 - stetch

which mode is highly symmetric?

4

one mode is known as the "umbrella" mode, which one is this?

1

how many bands would you expect to see in an experimental spectrum of gaseous ammonia?

6

N - atom charge: -1.125
H - atom charge: 0.375

== N2 ==

Molecule: N2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final energy E(RB3LYP) in au: -109.52412868

RMS gradient: 0.00000365

Point Group: D*H

N-N bond length: 1.10550

<pre>
Item Value Threshold Converged?
Maximum Force 0.000006 0.000450 YES
RMS Force 0.000006 0.000300 YES
Maximum Displacement 0.000002 0.001800 YES
RMS Displacement 0.000003 0.001200 YES
</pre>

Frequencies:
2457.31

The optimisation file is linked to [[Media:Mjr116n2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116n2.log</uploadedFileContents>
</jmolApplet></jmol>

==H2==

Molecule: H2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -1.09691172

RMS Gradient: 0.05487992

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000211 0.000450 YES
RMS Force 0.000211 0.000300 YES
Maximum Displacement 0.000278 0.001800 YES
RMS Displacement 0.000393 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116h2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116h2.log</uploadedFileContents>
</jmolApplet></jmol>

== Energy for the reaction ==

N2 + 3H2 -> 2NH3

E(NH3)= -56.55776873

2*E(NH3)= -113.11553746

E(N2)= -109.52412868

E(H2)= -1.09691172

3*E(H2)= -3.29073516

ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= -113.11553746 - (-109.52412868 + -3.29073516) = -0.30067362

Energy for converting hydrogen and nitrogen gas into ammonia gas in kJ/mol = -789.418649445

The ammonia product is therefore more stable.

== F2 ==

Molecule: F2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -199.48874381

RMS Gradient: 0.06248728

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000250 0.000450 YES
RMS Force 0.000250 0.000300 YES
Maximum Displacement 0.000308 0.001800 YES
RMS Displacement 0.000435 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116f2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116f2.log</uploadedFileContents>
</jmolApplet></jmol>

Frequency 1063.53

Charge: 0.0000

Orbitals

[[File:Mjr1162sigmag.png]]

This is the 2σ_g F2 orbital. One electron from each of the 2s atomic orbitals on the Fluorine atoms combine in-phase to make the 2σ_g molecular orbital. This molecular is an occupied orbital and it is a bonding MO. The electron density is spread between the two atoms and therefore this MO will have a stabilising effect on the bonding between the two F atoms.

[[File:mjr1162sigmaustar.png]]

This is the 2σ_u* orbital. Two electrons contribute to this molecular orbital, one from each of the 2s atomic orbitals of the fluorine atoms. This is an occupied molecular orbital and it is a result of the out of phase combination of orbitals, therefore this is an antibonding molecular orbital. This reduces the stability of the bond between the F atoms as the electron density is over the atoms but there is a node (gap) between the two atoms of lower electron density.

[[File:mjr1163sigmag.png]]

This is the 3σ_g F2 molecular orbital. It is the result of the in-phase combination of the 2p orbitals on the fluorine atoms, therefore this is a bonding MO. The electron density is in between the two nuclei therefore this MO contributes to the stability of the bonding.

Rep:MOD:mjr116

2017-03-15T12:58:33Z

Mjr116: /* F2 */

File:Mjr1162sigmaustar.png

2017-03-15T12:58:17Z

Mjr116: 2 sigma u star orbital of f2

2 sigma u star orbital of f2

Rep:MOD:mjr116

2017-03-15T12:53:23Z

Mjr116: /* F2 */

File:Mjr1162sigmag.png

2017-03-15T12:53:06Z

Mjr116: 2 sigma g orbital of f2

2 sigma g orbital of f2

Rep:MOD:mjr116

2017-03-15T12:51:15Z

Mjr116: /* F2 */

== NH3 ==
Molecule: NH3

Calulation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final Energy E(RB3LYP) in au: -56.55776873

RMS Gradient: 0.00000485

Point Group: C3V

N-H Bond Distance: 1.01798

H-N-H Bond Angle: 105.741

<pre>
Item Value Threshold Converged?
Maximum Force 0.000004 0.000450 YES
RMS Force 0.000004 0.000300 YES
Maximum Displacement 0.000072 0.001800 YES
RMS Displacement 0.000035 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116nh3.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116nh3.log</uploadedFileContents>
</jmolApplet></jmol>

[[File:Mjr116nh3displayvibrations.png]]

how many modes do you expect from the 3N-6 rule?

12

which modes are degenerate (ie have the same energy)?

2 and 3
5 and 6

which modes are "bending" vibrations and which are "bond stretch" vibrations?

1 - bending
2 - bending
3 - bending
4 - stretch
5 - stretch
6 - stetch

which mode is highly symmetric?

4

one mode is known as the "umbrella" mode, which one is this?

1

how many bands would you expect to see in an experimental spectrum of gaseous ammonia?

6

N - atom charge: -1.125
H - atom charge: 0.375

== N2 ==

Molecule: N2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

Final energy E(RB3LYP) in au: -109.52412868

RMS gradient: 0.00000365

Point Group: D*H

N-N bond length: 1.10550

<pre>
Item Value Threshold Converged?
Maximum Force 0.000006 0.000450 YES
RMS Force 0.000006 0.000300 YES
Maximum Displacement 0.000002 0.001800 YES
RMS Displacement 0.000003 0.001200 YES
</pre>

Frequencies:
2457.31

The optimisation file is linked to [[Media:Mjr116n2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116n2.log</uploadedFileContents>
</jmolApplet></jmol>

==H2==

Molecule: H2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -1.09691172

RMS Gradient: 0.05487992

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000211 0.000450 YES
RMS Force 0.000211 0.000300 YES
Maximum Displacement 0.000278 0.001800 YES
RMS Displacement 0.000393 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116h2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116h2.log</uploadedFileContents>
</jmolApplet></jmol>

== Energy for the reaction ==

N2 + 3H2 -> 2NH3

E(NH3)= -56.55776873

2*E(NH3)= -113.11553746

E(N2)= -109.52412868

E(H2)= -1.09691172

3*E(H2)= -3.29073516

ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= -113.11553746 - (-109.52412868 + -3.29073516) = -0.30067362

Energy for converting hydrogen and nitrogen gas into ammonia gas in kJ/mol = -789.418649445

The ammonia product is therefore more stable.

== F2 ==

Molecule: F2

Calculation Method: RB3LYP

Basis Set: 6-31G(d,p)

E(RB3LYP): -199.48874381

RMS Gradient: 0.06248728

Point Group: D*H

<pre>
Item Value Threshold Converged?
Maximum Force 0.000250 0.000450 YES
RMS Force 0.000250 0.000300 YES
Maximum Displacement 0.000308 0.001800 YES
RMS Displacement 0.000435 0.001200 YES
</pre>

The optimisation file is linked to [[Media:Mjr116f2.log| here]]

<jmol><jmolApplet>
<script>frame 1.16</script>
<title>test molecule</title>
<color>black</color>
<size>200</size>
<uploadedFileContents>mjr116f2.log</uploadedFileContents>
</jmolApplet></jmol>

Frequency 1063.53

Charge: 0.0000

Orbitals

[[File:F2 3 orbital.png]]

This is the 2σ_g F2 orbital. One electron from each of the 2s atomic orbitals on the Fluorine atoms combine in-phase to make the 2σ_g molecular orbital. This molecular is an occupied orbital and it is a bonding MO. The electron density is spread between the two atoms and therefore this MO will have a stabilising effect on the bonding between the two F atoms.

Rep:MOD:mjr116

2017-03-15T12:43:17Z

Mjr116: /* F2 */

File:F2 3 orbital.png

2017-03-15T12:42:35Z

Mjr116:

Rep:MOD:mjr116

2017-03-15T12:40:59Z

Mjr116: /* F2 */

Rep:MOD:mjr116

2017-03-15T12:39:36Z

Mjr116: /* F2 */

File:F2 3 orbital.tif

2017-03-15T12:39:09Z

Mjr116:

Rep:MOD:mjr116

2017-03-13T12:01:04Z

Mjr116: /* F2 */

Rep:MOD:mjr116

2017-03-13T12:00:00Z

Mjr116: /* F2 */

Rep:MOD:mjr116

2017-03-13T11:53:20Z

Mjr116: /* F2 */

File:Mjr116f2.log

2017-03-13T11:53:08Z

Mjr116: f2

Rep:MOD:mjr116

2017-03-13T11:52:11Z

Mjr116: /* F2 */

Rep:MOD:mjr116

2017-03-13T11:49:39Z

Mjr116: /* Energy for the reaction */

Rep:MOD:mjr116

2017-03-13T11:27:13Z

Mjr116: /* Energy for the reaction */

Rep:MOD:mjr116

2017-03-13T11:19:59Z

Mjr116: /* H2 */

Rep:MOD:mjr116

2017-03-13T11:18:26Z

Mjr116: /* H2 */

File:Mjr116h2.log

2017-03-13T11:18:14Z

Mjr116: h2

Rep:MOD:mjr116

2017-03-13T11:17:30Z

Mjr116: /* H2 */

Rep:MOD:mjr116

2017-03-13T11:13:51Z

Mjr116: /* N2 */

Rep:MOD:mjr116

2017-03-13T11:09:30Z

Mjr116: /* N2 */

Rep:MOD:mjr116

2017-03-13T11:09:20Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T11:08:51Z

Mjr116: /* NH3 */

File:Mjr116n2.log

2017-03-13T11:08:04Z

Mjr116: n2

Rep:MOD:mjr116

2017-03-13T11:06:22Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:51:03Z

Mjr116:

Rep:MOD:mjr116

2017-03-13T10:50:35Z

Mjr116:

Rep:MOD:mjr116

2017-03-13T10:49:40Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:46:47Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:38:08Z

Mjr116: /* NH3 */

File:Mjr116nh3displayvibrations.png

2017-03-13T10:37:23Z

Mjr116:

Rep:MOD:mjr116

2017-03-13T10:29:41Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:27:55Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:26:35Z

Mjr116: /* NH3 */

File:Mjr116nh3.log

2017-03-13T10:24:53Z

Mjr116: n

Rep:MOD:mjr116

2017-03-13T10:20:49Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:19:17Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:17:28Z

Mjr116: /* NH3 */

Rep:MOD:mjr116

2017-03-13T10:11:49Z

Mjr116:

File:Mjr116 nh3.LOG

2017-03-13T10:09:16Z

Mjr116: