Publication: CCCBDB__m16b18__sihcl3 Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__sihcl3
Visits 0
Create date 2017-08-31 20:52
Category Computational chemistry
State Preliminary
Visibility Public
Abstract description
Abstract Image
Url address https://www.chemsem.com/pub/bwang-20170831205244/

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 Cl 3 HSi
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
Cl 106.35 g/mol 3 79%
H 1.008 g/mol 1 1%
Si 28.09 g/mol 1 21%
Total 135.448 g/mol 5 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 1
Vibrational analysis
Vibrational count 9
Frequency [cm -1]
169.4049
169.405
246.099
486.6169
590.434
590.4395
789.9483
789.9595
2295.233
Intensity
1.7438
1.745
6.8938
23.5672
137.3899
137.3967
120.1585
120.1481
47.6191
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  9160.139 ElectronVolt
TotalPotentialEnergy -45464.1 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 0.8924Debye
Dipole Moment X 0Debye
Dipole Moment Y 0Debye
Dipole Moment Z 0.8924Debye

Molecules

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Data Files

Filename Extension Type Size Create date
bwang .zip .csv files ? 2017-08-31 20:52 Download
bwang .jsonld Regenerate text/json ? 2017-08-31 20:52 Download
bwang .ttl text/turtle ? 2017-08-31 20:52 Download
bwang .json application/json ? 2017-08-31 20:52 Download
bwang_0 .molden .molden file ? 2017-08-31 20:52 Download
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CSX --- --- 7.4 KB 2017-08-31 20:52 Download
Abstract Image File:
CSX .svg image/svg+xml 1.5 KB 2017-08-31 20:52 Download

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