Full metadata record
DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.4.4en
cml.program.other18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-249.46876454en
cml.energy.unitseVen
cml.formula.genericCH4Rh36en
cml.calculationtypeFrequenciesen
cml.hassolventfalseen
cml.hasvibrationalfrequenciestrueen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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cml.formula.smilesC[Rh]12345[Rh]6789[Rh]%10%11%12%13%14[Rh]%15%16%17[Rh]%18%19%20%21[Rh]%22[Rh]%18%23%24%25[Rh]%18%26%27[Rh]%28%29%30%31%32[Rh]%33%34%35[Rh]%36%37%38%39[Rh]%40%41%42[Rh]%43%44[Rh]%40%45[Rh]%431%40%46%47[Rh]21%43%48%49[Rh][Rh]12%50%51%52[Rh]%18%281%53%54[Rh]%26%23%18%28%55%56%57[Rh]%22%19%24%23[Rh]%18%19%22%24%26%58[Rh]%18[Rh]%19[Rh]%183%43%22%19[Rh]64%10%243%18%22[Rh]%15%20%23%11%26%284[Rh]%16%27%21%25%29%556[Rh]%17%33%30%12%10[Rh]%34%367%13%11%12%15[Rh]%44%41%378%407[Rh]%45%42%38%4628[Rh]%35%39%50%311%112[Rh]9%475%48%5178%1231[Rh]%19%49%52%53%58%56%18[Rh]%10%32%14%5464%57%152%221en
cml.formula.smilesC[Rh]12345[Rh]6789[Rh]%10%11%12%13%14[Rh]%15%16%17[Rh]%18%19%20%21[Rh]%22[Rh]%18%23%24%25[Rh]%18%26%27[Rh]%28%29%30%31%32[Rh]%33%34%35[Rh]%36%37%38%39[Rh]%40%41%42[Rh]%43%44[Rh]%40%45[Rh]%431%40%46%47[Rh]21%43%48%49[Rh][Rh]12%50%51%52[Rh]%18%281%53%54[Rh]%26%23%18%28%55%56%57[Rh]%22%19%24%23[Rh]%18%19%22%24%26%58[Rh]%18[Rh]%19[Rh]%183%43%22%19[Rh]64%10%243%18%22[Rh]%15%20%23%11%26%284[Rh]%16%27%21%25%29%556[Rh]%17%33%30%12%10[Rh]%34%367%13%11%12%15[Rh]%44%41%378%407[Rh]%45%42%38%4628[Rh]%35%39%50%311%112[Rh]9%475%48%5178%1231[Rh]%19%49%52%53%58%56%18[Rh]%10%32%14%5464%57%152%221en
dc.contributor.authorGarcia, Sergio Pablo-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2020-01-24T11:30:33Z-
dc.date.accessioned2020-02-17T17:41:49Z-
dc.date.available2020-02-17T16:06:16Z-
dc.date.available2020-02-17T17:41:49Z-
dc.date.created2020-01-24T12:30:32.407+01:00-
dc.date.issued2020-01-24T12:30:32.407+01:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/218387-
dc.descriptionR8-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relationOriginal title: Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning DOI: 10.1021/acscatal.0c00679 Journal: ACS Catal.*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-150-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/ts_freq/Rh R8-
dc.typedataset-
dc.date.updated2020-01-24T11:30:33Z-
Appears in Collections:CH2Br2_Hydrodebromination

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Manuscript title: Performance of Metal-Catalyzed Hydrodebromination of Dibromomethane Analyzed by Descriptors Derived from Statistical Learning

Journal: ACS Catal.

DOI: 10.1021/acscatal.0c00679



Please use this identifier to cite or link to this item: https://www.iochem-bd.org//handle/10/218387

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