Publication: CCCBDB__m16b18__urea Print

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Publication

Unique name bwang
Title CCCBDB__m16b18__urea
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-20170831205327/

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 CH 4 N 2 O
Molecule atom masses
Symbol Atomic mass Atoms Mass percent
C 12.01 g/mol 1 20%
H 4.032 g/mol 4 7%
N 28.02 g/mol 2 47%
O 16 g/mol 1 27%
Total 60.062 g/mol 8 100%
Molecular system charge 0
Molecular system temperature 0
Molecular system multiplicity 1
Vibrational analysis
Vibrational count 18
Frequency [cm -1]
369.7495
437.0254
472.2598
529.1138
532.8835
578.204
781.5452
960.1197
1040.811
1173.999
1417.224
1625.925
1627.043
1797.2
3591.331
3596.465
3709.326
3709.934
Intensity
64.663
210.7862
1.5338
49.3109
120.685
59.3905
39.658
10.3458
24.8578
4.0553
211.8143
0.002
194.8482
454.0383
48.7723
3.5136
33.5909
41.3612
Electronic spectrum
Transition count 0
Transition energy [nm]
---
Oscillator strength
 
 
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Molecular System Energies

Energy Type Value Units
NuclearRepulsionEnergy  3375.215 ElectronVolt
TotalPotentialEnergy -6130.206 ElectronVolt

Molecular System Properties

Name Value Units
Dipole Moment Average 3.6577Debye
Dipole Moment X 0Debye
Dipole Moment Y 0Debye
Dipole Moment Z-3.6577Debye

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 --- --- 11.4 KB 2017-08-31 20:53 Download
Abstract Image File:
CSX .svg image/svg+xml 2.2 KB 2017-08-31 20:53 Download

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