Publication: CCCBDB__m16b18__thiirane Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__thiirane
Visits 0
Create date 2017-08-31 20:53
Category Computational chemistry
State Preliminary
Visibility Public
Abstract description
Abstract Image
Url address https://www.chemsem.com/pub/bwang-20170831205317/

User

Username bwang
Full name Bing Wang
Url address http://chemsem.com/usr/bwang
Degree Doctor
Organization Chemical Semantics
Email bwang2453@gmail.com
Phone 3522222246
Mobile phone 3522222246

Most Recent Publications

Title Visits Create date
bwang-VirtualBox__Programs-chemPub__GMS-H2CO-9 0 2017-10-11 15:30
CCCBDB__m16b18__urea 0 2017-08-31 20:53
CCCBDB__m16b18__trimeam 0 2017-08-31 20:53
CCCBDB__m16b18__thiirane 0 2017-08-31 20:53
CCCBDB__m16b18__thietane 0 2017-08-31 20:53
CCCBDB__m16b18__sso 0 2017-08-31 20:53
CCCBDB__m16b18__socl2 0 2017-08-31 20:53
CCCBDB__m16b18__so2f2 0 2017-08-31 20:53
CCCBDB__m16b18__so2 0 2017-08-31 20:52
CCCBDB__m16b18__so 0 2017-08-31 20:52
CCCBDB__m16b18__sis 0 2017-08-31 20:52
CCCBDB__m16b18__sio 0 2017-08-31 20:52
CCCBDB__m16b18__sihcl3 0 2017-08-31 20:52
CCCBDB__m16b18__sih3f 0 2017-08-31 20:52
CCCBDB__m16b18__sih3cl 0 2017-08-31 20:52
Total records: 41125
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System formula C 2 H 4 S
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
C 24.02 g/mol 2 39%
H 4.032 g/mol 4 7%
S 32.97 g/mol 1 54%
Total 61.022 g/mol 7 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 1
Vibrational analysis
Vibrational count 15
Frequency [cm -1]
651.141
694.1809
833.2421
899.2602
956.9865
1041.437
1073.956
1151.454
1190.958
1463.81
1488.223
3127.242
3128.432
3207.744
3221.983
Intensity
23.9736
0.5376
0.6876
0
3.299
0.8918
22.2996
1.1852
0
1.1772
2.4095
11.1453
16.0096
0
2.8389
Electronic spectrum
Transition count 0
Transition energy [nm]
---
Oscillator strength
 
 
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Molecular System Energies

Energy Type Value Units
TotalPotentialEnergy -12973.64 ElectronVolt
NuclearRepulsionEnergy  2758.373 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 1.9377Debye
Dipole Moment X 0Debye
Dipole Moment Y 0Debye
Dipole Moment Z-1.9377Debye

Molecules

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    Gaussian

Data Files

Filename Extension Type Size Create date
bwang .zip .csv files ? 2017-08-31 20:53 Download
bwang .jsonld Regenerate text/json ? 2017-08-31 20:53 Download
bwang .ttl text/turtle ? 2017-08-31 20:53 Download
bwang .json application/json ? 2017-08-31 20:53 Download
bwang_0 .molden .molden file ? 2017-08-31 20:53 Download
Originally Uploaded File:
CSX --- --- 9.9 KB 2017-08-31 20:53 Download
Abstract Image File:
CSX .svg image/svg+xml 1.8 KB 2017-08-31 20:53 Download

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