Publication: CCCBDB__m16b18__so Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__so
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-20170831205254/

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 OS
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
O 16 g/mol 1 33%
S 32.97 g/mol 1 67%
Total 48.97 g/mol 2 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 3
Vibrational analysis
Vibrational count 1
Frequency [cm -1]
1171.744
Intensity
18.7565
Electronic spectrum
Transition count 0
Transition energy [nm]
---
Oscillator strength
 
 
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Molecular System Energies

Energy Type Value Units
NuclearRepulsionEnergy  1234.406 ElectronVolt
TotalPotentialEnergy -12880.4 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 1.4465Debye
Dipole Moment X 0Debye
Dipole Moment Y 0Debye
Dipole Moment Z 1.4465Debye

Molecules

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    Gaussian

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
Originally Uploaded File:
CSX --- --- 4.4 KB 2017-08-31 20:52 Download
Abstract Image File:
CSX .svg image/svg+xml 1,023.0 bytes 2017-08-31 20:52 Download

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