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Spec in Service of Dynamics. Chem Bonds and Mol Vibs.

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Presentation on theme: "Spec in Service of Dynamics. Chem Bonds and Mol Vibs."— Presentation transcript:

1 Spec in Service of Dynamics

2

3

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6 Chem Bonds and Mol Vibs

7 Two states

8 Two and multiple states

9 Two and multi state with pulse

10 Spec in Service of Dynamics

11 Andreas Bach Heidi Yoon Mike Hause

12 NH3 PES 1D

13 NH3 PES 1D and 3D

14 Simulation fundamentals

15 Vib spec no assignments

16 Vib spec Overview

17 Vip spec summary

18 Dopper Technique

19 Assignments

20 Profiles origin

21 Profiles origin vimp

22 Doppler Progression origin

23 Doppler Progression sym str

24 Doppler Progression anti strSpeed Distributions

25 Energy Partitioning

26 Energy Partitioning str

27 Imaging origin

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30 Imaging Vimp sym str

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33 Spec in Service of Dynamics

34 Sangwoon YoonRob Holiday

35 Apparatus

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39 CH3D normal modes

40 CH3D REMPI Scans

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47 CH3D vCH=1 spectra sim

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52 CH3D vCH=1 spectra sim scaled

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54 Intro Antisymmetric Stretch, 4 Symmetric Stretch, 1 MP2 6-311++G(2d,2p )

55 Intro Antisymmetric Stretch, 4 Symmetric Stretch, 1 MP2 6-311++G(2d,2p )

56 -30-25 Antisymmetric Stretch, 4 Symmetric Stretch, 1

57 -20 Antisymmetric Stretch, 4 Symmetric Stretch, 1

58 -10 Antisymmetric Stretch, 4 Symmetric Stretch, 1

59 -05 Antisymmetric Stretch, 4 Symmetric Stretch, 1

60 TS Antisymmetric Stretch, 4 Unbound Vibration

61 +01.5 Antisymmetric Stretch, 4 Symmetric Stretch, 1

62 +10+15 Antisymmetric Stretch, 4 Symmetric Stretch, 1

63 +20 Antisymmetric Stretch, 4 Symmetric Stretch, 1

64 Symmetry coord E. L. Sibert

65 Symmetry coord E. L. Sibert

66 Symmetry coord E. L. Sibert

67 Spec in Service of Dynamics

68 Chris Elles Jocelyn Cox

69 CH2I2 intro

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72 Scheme and signal

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74 v=1

75 v=1 and 2 data

76 CH3I v=2 gas liquid

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78 CH3I v=2 gas liquid overlay

79 CH3I DOS modes

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83 Overlay

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86 Spec in Service of Dynamics


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