Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O
Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting....
Ausführliche Beschreibung
Gespeichert in:
| Autor*in: |
Harvey, Jeremy N. [verfasserIn] |
|---|
| Format: |
E-Artikel |
|---|---|
| Sprache: |
Englisch |
| Erschienen: |
2013 |
|---|
| Schlagwörter: |
|---|
| Umfang: |
8 |
|---|
| Übergeordnetes Werk: |
Enthalten in: Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents - Faron, Nicholas ELSEVIER, 2022, [S.l.] |
|---|---|
| Übergeordnetes Werk: |
volume:354 ; year:2013 ; day:15 ; month:11 ; pages:263-270 ; extent:8 |
| Links: |
|---|
| DOI / URN: |
10.1016/j.ijms.2013.07.011 |
|---|
| Katalog-ID: |
ELV032788991 |
|---|
| LEADER | 01000caa a22002652 4500 | ||
|---|---|---|---|
| 001 | ELV032788991 | ||
| 003 | DE-627 | ||
| 005 | 20230623223342.0 | ||
| 007 | cr uuu---uuuuu | ||
| 008 | 180603s2013 xx |||||o 00| ||eng c | ||
| 024 | 7 | |a 10.1016/j.ijms.2013.07.011 |2 doi | |
| 028 | 5 | 2 | |a GBVA2013003000004.pica |
| 035 | |a (DE-627)ELV032788991 | ||
| 035 | |a (ELSEVIER)S1387-3806(13)00276-5 | ||
| 040 | |a DE-627 |b ger |c DE-627 |e rakwb | ||
| 041 | |a eng | ||
| 082 | 0 | |a 530 | |
| 082 | 0 | 4 | |a 530 |q DE-600 |
| 082 | 0 | 4 | |a 610 |q VZ |
| 084 | |a 44.95 |2 bkl | ||
| 100 | 1 | |a Harvey, Jeremy N. |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| 264 | 1 | |c 2013 | |
| 300 | |a 8 | ||
| 336 | |a nicht spezifiziert |b zzz |2 rdacontent | ||
| 337 | |a nicht spezifiziert |b z |2 rdamedia | ||
| 338 | |a nicht spezifiziert |b zu |2 rdacarrier | ||
| 520 | |a Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. | ||
| 650 | 7 | |a Ion-molecule reactions |2 Elsevier | |
| 650 | 7 | |a Spin-forbidden reactions |2 Elsevier | |
| 650 | 7 | |a Non-adiabatic rate theory |2 Elsevier | |
| 650 | 7 | |a Coupled-cluster theory |2 Elsevier | |
| 700 | 1 | |a Tew, David P. |4 oth | |
| 773 | 0 | 8 | |i Enthalten in |n Elsevier Science |a Faron, Nicholas ELSEVIER |t Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |d 2022 |g [S.l.] |w (DE-627)ELV008599289 |
| 773 | 1 | 8 | |g volume:354 |g year:2013 |g day:15 |g month:11 |g pages:263-270 |g extent:8 |
| 856 | 4 | 0 | |u https://doi.org/10.1016/j.ijms.2013.07.011 |3 Volltext |
| 912 | |a GBV_USEFLAG_U | ||
| 912 | |a GBV_ELV | ||
| 912 | |a SYSFLAG_U | ||
| 912 | |a SSG-OLC-PHA | ||
| 936 | b | k | |a 44.95 |j Augenheilkunde |q VZ |
| 951 | |a AR | ||
| 952 | |d 354 |j 2013 |b 15 |c 1115 |h 263-270 |g 8 | ||
| 953 | |2 045F |a 530 | ||
| author_variant |
j n h jn jnh |
|---|---|
| matchkey_str |
harveyjeremyntewdavidp:2013----:nesadnteeciiyoteeknhsifridn |
| hierarchy_sort_str |
2013 |
| bklnumber |
44.95 |
| publishDate |
2013 |
| allfields |
10.1016/j.ijms.2013.07.011 doi GBVA2013003000004.pica (DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 DE-627 ger DE-627 rakwb eng 530 530 DE-600 610 VZ 44.95 bkl Harvey, Jeremy N. verfasserin aut Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O 2013 8 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier Tew, David P. oth Enthalten in Elsevier Science Faron, Nicholas ELSEVIER Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents 2022 [S.l.] (DE-627)ELV008599289 volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 https://doi.org/10.1016/j.ijms.2013.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.95 Augenheilkunde VZ AR 354 2013 15 1115 263-270 8 045F 530 |
| spelling |
10.1016/j.ijms.2013.07.011 doi GBVA2013003000004.pica (DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 DE-627 ger DE-627 rakwb eng 530 530 DE-600 610 VZ 44.95 bkl Harvey, Jeremy N. verfasserin aut Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O 2013 8 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier Tew, David P. oth Enthalten in Elsevier Science Faron, Nicholas ELSEVIER Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents 2022 [S.l.] (DE-627)ELV008599289 volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 https://doi.org/10.1016/j.ijms.2013.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.95 Augenheilkunde VZ AR 354 2013 15 1115 263-270 8 045F 530 |
| allfields_unstemmed |
10.1016/j.ijms.2013.07.011 doi GBVA2013003000004.pica (DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 DE-627 ger DE-627 rakwb eng 530 530 DE-600 610 VZ 44.95 bkl Harvey, Jeremy N. verfasserin aut Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O 2013 8 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier Tew, David P. oth Enthalten in Elsevier Science Faron, Nicholas ELSEVIER Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents 2022 [S.l.] (DE-627)ELV008599289 volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 https://doi.org/10.1016/j.ijms.2013.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.95 Augenheilkunde VZ AR 354 2013 15 1115 263-270 8 045F 530 |
| allfieldsGer |
10.1016/j.ijms.2013.07.011 doi GBVA2013003000004.pica (DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 DE-627 ger DE-627 rakwb eng 530 530 DE-600 610 VZ 44.95 bkl Harvey, Jeremy N. verfasserin aut Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O 2013 8 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier Tew, David P. oth Enthalten in Elsevier Science Faron, Nicholas ELSEVIER Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents 2022 [S.l.] (DE-627)ELV008599289 volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 https://doi.org/10.1016/j.ijms.2013.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.95 Augenheilkunde VZ AR 354 2013 15 1115 263-270 8 045F 530 |
| allfieldsSound |
10.1016/j.ijms.2013.07.011 doi GBVA2013003000004.pica (DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 DE-627 ger DE-627 rakwb eng 530 530 DE-600 610 VZ 44.95 bkl Harvey, Jeremy N. verfasserin aut Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O 2013 8 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier Tew, David P. oth Enthalten in Elsevier Science Faron, Nicholas ELSEVIER Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents 2022 [S.l.] (DE-627)ELV008599289 volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 https://doi.org/10.1016/j.ijms.2013.07.011 Volltext GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA 44.95 Augenheilkunde VZ AR 354 2013 15 1115 263-270 8 045F 530 |
| language |
English |
| source |
Enthalten in Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents [S.l.] volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 |
| sourceStr |
Enthalten in Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents [S.l.] volume:354 year:2013 day:15 month:11 pages:263-270 extent:8 |
| format_phy_str_mv |
Article |
| bklname |
Augenheilkunde |
| institution |
findex.gbv.de |
| topic_facet |
Ion-molecule reactions Spin-forbidden reactions Non-adiabatic rate theory Coupled-cluster theory |
| dewey-raw |
530 |
| isfreeaccess_bool |
false |
| container_title |
Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |
| authorswithroles_txt_mv |
Harvey, Jeremy N. @@aut@@ Tew, David P. @@oth@@ |
| publishDateDaySort_date |
2013-01-15T00:00:00Z |
| hierarchy_top_id |
ELV008599289 |
| dewey-sort |
3530 |
| id |
ELV032788991 |
| language_de |
englisch |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV032788991</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230623223342.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">180603s2013 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.ijms.2013.07.011</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">GBVA2013003000004.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV032788991</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S1387-3806(13)00276-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">530</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">610</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">44.95</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Harvey, Jeremy N.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2013</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">8</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Ion-molecule reactions</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Spin-forbidden reactions</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Non-adiabatic rate theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Coupled-cluster theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tew, David P.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Faron, Nicholas ELSEVIER</subfield><subfield code="t">Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents</subfield><subfield code="d">2022</subfield><subfield code="g">[S.l.]</subfield><subfield code="w">(DE-627)ELV008599289</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:354</subfield><subfield code="g">year:2013</subfield><subfield code="g">day:15</subfield><subfield code="g">month:11</subfield><subfield code="g">pages:263-270</subfield><subfield code="g">extent:8</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.ijms.2013.07.011</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">44.95</subfield><subfield code="j">Augenheilkunde</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">354</subfield><subfield code="j">2013</subfield><subfield code="b">15</subfield><subfield code="c">1115</subfield><subfield code="h">263-270</subfield><subfield code="g">8</subfield></datafield><datafield tag="953" ind1=" " ind2=" "><subfield code="2">045F</subfield><subfield code="a">530</subfield></datafield></record></collection>
|
| author |
Harvey, Jeremy N. |
| spellingShingle |
Harvey, Jeremy N. ddc 530 ddc 610 bkl 44.95 Elsevier Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| authorStr |
Harvey, Jeremy N. |
| ppnlink_with_tag_str_mv |
@@773@@(DE-627)ELV008599289 |
| format |
electronic Article |
| dewey-ones |
530 - Physics 610 - Medicine & health |
| delete_txt_mv |
keep |
| author_role |
aut |
| collection |
elsevier |
| remote_str |
true |
| illustrated |
Not Illustrated |
| topic_title |
530 530 DE-600 610 VZ 44.95 bkl Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory Elsevier |
| topic |
ddc 530 ddc 610 bkl 44.95 Elsevier Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory |
| topic_unstemmed |
ddc 530 ddc 610 bkl 44.95 Elsevier Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory |
| topic_browse |
ddc 530 ddc 610 bkl 44.95 Elsevier Ion-molecule reactions Elsevier Spin-forbidden reactions Elsevier Non-adiabatic rate theory Elsevier Coupled-cluster theory |
| format_facet |
Elektronische Aufsätze Aufsätze Elektronische Ressource |
| format_main_str_mv |
Text Zeitschrift/Artikel |
| carriertype_str_mv |
zu |
| author2_variant |
d p t dp dpt |
| hierarchy_parent_title |
Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |
| hierarchy_parent_id |
ELV008599289 |
| dewey-tens |
530 - Physics 610 - Medicine & health |
| hierarchy_top_title |
Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |
| isfreeaccess_txt |
false |
| familylinks_str_mv |
(DE-627)ELV008599289 |
| title |
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| ctrlnum |
(DE-627)ELV032788991 (ELSEVIER)S1387-3806(13)00276-5 |
| title_full |
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| author_sort |
Harvey, Jeremy N. |
| journal |
Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |
| journalStr |
Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents |
| lang_code |
eng |
| isOA_bool |
false |
| dewey-hundreds |
500 - Science 600 - Technology |
| recordtype |
marc |
| publishDateSort |
2013 |
| contenttype_str_mv |
zzz |
| container_start_page |
263 |
| author_browse |
Harvey, Jeremy N. |
| container_volume |
354 |
| physical |
8 |
| class |
530 530 DE-600 610 VZ 44.95 bkl |
| format_se |
Elektronische Aufsätze |
| author-letter |
Harvey, Jeremy N. |
| doi_str_mv |
10.1016/j.ijms.2013.07.011 |
| dewey-full |
530 610 |
| title_sort |
understanding the reactivity bottleneck in the spin-forbidden reaction feo+ +h2 →fe+ +h2o |
| title_auth |
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| abstract |
Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. |
| abstractGer |
Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. |
| abstract_unstemmed |
Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting. |
| collection_details |
GBV_USEFLAG_U GBV_ELV SYSFLAG_U SSG-OLC-PHA |
| title_short |
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O |
| url |
https://doi.org/10.1016/j.ijms.2013.07.011 |
| remote_bool |
true |
| author2 |
Tew, David P. |
| author2Str |
Tew, David P. |
| ppnlink |
ELV008599289 |
| mediatype_str_mv |
z |
| isOA_txt |
false |
| hochschulschrift_bool |
false |
| author2_role |
oth |
| doi_str |
10.1016/j.ijms.2013.07.011 |
| up_date |
2024-07-06T17:04:13.944Z |
| _version_ |
1803850040158978048 |
| fullrecord_marcxml |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>01000caa a22002652 4500</leader><controlfield tag="001">ELV032788991</controlfield><controlfield tag="003">DE-627</controlfield><controlfield tag="005">20230623223342.0</controlfield><controlfield tag="007">cr uuu---uuuuu</controlfield><controlfield tag="008">180603s2013 xx |||||o 00| ||eng c</controlfield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1016/j.ijms.2013.07.011</subfield><subfield code="2">doi</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">GBVA2013003000004.pica</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-627)ELV032788991</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ELSEVIER)S1387-3806(13)00276-5</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-627</subfield><subfield code="b">ger</subfield><subfield code="c">DE-627</subfield><subfield code="e">rakwb</subfield></datafield><datafield tag="041" ind1=" " ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">530</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">530</subfield><subfield code="q">DE-600</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">610</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">44.95</subfield><subfield code="2">bkl</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Harvey, Jeremy N.</subfield><subfield code="e">verfasserin</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Understanding the reactivity bottleneck in the spin-forbidden reaction FeO+ +H2 →Fe+ +H2O</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="c">2013</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">8</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zzz</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">z</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">nicht spezifiziert</subfield><subfield code="b">zu</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Highlights • Accurate coupled-cluster energies are reported for the title reaction. • The crossing point between quartet and sextet surfaces is located. • Non-adiabatic statistical rate theory calculations are performed. • The HH bond splitting transition state is predicted to be rate-limiting.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Ion-molecule reactions</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Spin-forbidden reactions</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Non-adiabatic rate theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Coupled-cluster theory</subfield><subfield code="2">Elsevier</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tew, David P.</subfield><subfield code="4">oth</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Enthalten in</subfield><subfield code="n">Elsevier Science</subfield><subfield code="a">Faron, Nicholas ELSEVIER</subfield><subfield code="t">Outcomes of refractive lens exchange to treat high myopia in special needs children and adolescents</subfield><subfield code="d">2022</subfield><subfield code="g">[S.l.]</subfield><subfield code="w">(DE-627)ELV008599289</subfield></datafield><datafield tag="773" ind1="1" ind2="8"><subfield code="g">volume:354</subfield><subfield code="g">year:2013</subfield><subfield code="g">day:15</subfield><subfield code="g">month:11</subfield><subfield code="g">pages:263-270</subfield><subfield code="g">extent:8</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1016/j.ijms.2013.07.011</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_USEFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV_ELV</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SYSFLAG_U</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">SSG-OLC-PHA</subfield></datafield><datafield tag="936" ind1="b" ind2="k"><subfield code="a">44.95</subfield><subfield code="j">Augenheilkunde</subfield><subfield code="q">VZ</subfield></datafield><datafield tag="951" ind1=" " ind2=" "><subfield code="a">AR</subfield></datafield><datafield tag="952" ind1=" " ind2=" "><subfield code="d">354</subfield><subfield code="j">2013</subfield><subfield code="b">15</subfield><subfield code="c">1115</subfield><subfield code="h">263-270</subfield><subfield code="g">8</subfield></datafield><datafield tag="953" ind1=" " ind2=" "><subfield code="2">045F</subfield><subfield code="a">530</subfield></datafield></record></collection>
|
| score |
7.4014435 |