Publication: CCCBDB__m16b18__so2f2 Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__so2f2
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-20170831205301/

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 F 2 O 2 S
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
F 38 g/mol 2 37%
O 32 g/mol 2 31%
S 32.97 g/mol 1 32%
Total 102.97 g/mol 5 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 1
Vibrational analysis
Vibrational count 9
Frequency [cm -1]
362.2525
363.8386
512.966
517.6062
526.317
819.5559
854.2485
1251.832
1483.533
Intensity
0
0.0238
18.2101
29.4394
23.3308
122.9735
234.6962
157.39
263.2541
Electronic spectrum
Transition count 0
Transition energy [nm]
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Oscillator strength
 
 
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Molecular System Energies

Energy Type Value Units
NuclearRepulsionEnergy  7843.697 ElectronVolt
TotalPotentialEnergy -20361.76 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 1.1606Debye
Dipole Moment X 0Debye
Dipole Moment Y 0Debye
Dipole Moment Z-1.1606Debye

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
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CSX --- --- 7.3 KB 2017-08-31 20:53 Download
Abstract Image File:
CSX .svg image/svg+xml 1.7 KB 2017-08-31 20:53 Download

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