Publication: CCCBDB__m16b18__sso Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__sso
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-20170831205308/

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 2
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
O 16 g/mol 1 20%
S 65.94 g/mol 2 80%
Total 81.94 g/mol 3 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 1
Vibrational analysis
Vibrational count 3
Frequency [cm -1]
381.3136
696.03
1192.361
Intensity
7.5223
49.6726
164.6283
Electronic spectrum
Transition count 0
Transition energy [nm]
---
Oscillator strength
 
 
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Molecular System Energies

Energy Type Value Units
TotalPotentialEnergy -23715.98 ElectronVolt
NuclearRepulsionEnergy  3833.698 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 1.399126Debye
Dipole Moment X-1.3809Debye
Dipole Moment Y 0.2251Debye
Dipole Moment Z 0Debye

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 --- --- 5.2 KB 2017-08-31 20:53 Download
Abstract Image File:
CSX .svg image/svg+xml 1.5 KB 2017-08-31 20:53 Download

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