Chemical Synergies : : From the Lab to In Silico Modelling / / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski.
This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-establish...
Saved in:
| Superior document: | Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018 |
|---|---|
| MitwirkendeR: | |
| TeilnehmendeR: | |
| HerausgeberIn: | |
| Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2018] ©2018 |
| Year of Publication: | 2018 |
| Language: | English |
| Online Access: | |
| Physical Description: | 1 online resource (XIV, 310 p.) |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| id |
9783110482065 |
|---|---|
| ctrlnum |
(DE-B1597)467113 (OCoLC)1037979876 |
| collection |
bib_alma |
| record_format |
marc |
| spelling |
Chemical Synergies : From the Lab to In Silico Modelling / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski. Berlin ; Boston : De Gruyter, [2018] ©2018 1 online resource (XIV, 310 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Frontmatter -- Preface -- Contents -- List of Contributing Authors -- 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry -- 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems -- 3. The Halogen bond: Nature and Applications -- 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates -- 5. Modeling of Azobenzene-Based Compounds -- 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules -- 7. Computer Analysis of Potentiometric data of complexes formation in the Solution -- 8. Reactive Extraction at Liquid–Liquid Systems -- 9. Membrane Processes -- 10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence -- 11. Applicability of DFT model in reactive distillation -- Index restricted access http://purl.org/coar/access_right/c_16ec online access with authorization star This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter. Mode of access: Internet via World Wide Web. In English. Description based on online resource; title from PDF title page (publisher's Web site, viewed 30. Aug 2021) Chemistry, Physical and theoretical. Chemische Analyse. Qualitative Analyse. Quantitative Analyse. Theoretische Chemie. SCIENCE / Chemistry / General. bisacsh Alemán, Carlos, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Alemán, Carlos. Ambrogi, V., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Ambrogi, Veronica. Bandeira, N. A. G., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Bandeira, Nuno A.G., editor. edt http://id.loc.gov/vocabulary/relators/edt Bertran, Oscar, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Bertran, Oscar. Cerruti, P., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cerruti, Pierfrancesco. Costa, Paulo J., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Costa, Paulo. Fianchini, Mauro, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Fianchini, Mauro. Giamberini, M., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Giamberini, Marta. Gulaczyk, Iwona, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gulaczyk, Iwona. Jastrzab, Renata, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Jastrzab, Renata. Kaczmarek, Malgorzata Teresa. Kaczmarek, Małgorzata T., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb López, Xavier, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb López, Xavier. Marturano, V., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Marturano, Valentina. Odani, Akira, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Odani, Akira. Puiggalí, Jordi, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Puiggalí, Jordi. Revilla-López, Guillem, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Revilla-López, Guillem. Staszak, Katarzyna, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Staszak, Katarzyna. Staszak, Maciej, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Staszak, Maciej. Torras, Juan, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Torras, Juan. Tsibranska, Irene, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Tsibranska, Irene. Turón, Pau, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Turón, Pau. Tylkowski, B., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Tylkowski, Bartosz, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Tylkowski, Bartosz, editor. edt http://id.loc.gov/vocabulary/relators/edt Vlaev, Serafim, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Vlaev, Serafim. Wieszczycka, Karolina, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Wieszczycka, Karolina. Zanuy, David, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Zanuy, David. Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018 9783110719550 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2018 English 9783110604252 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2018 9783110603255 ZDB-23-DGG Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chem., Mat.Sc, Geosc 2018 English 9783110604221 Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Materials Sc, Geosc 2018 9783110603224 ZDB-23-DPC EPUB 9783110481365 print 9783110481358 https://doi.org/10.1515/9783110482065 https://www.degruyter.com/isbn/9783110482065 Cover https://www.degruyter.com/cover/covers/9783110482065.jpg |
| language |
English |
| format |
eBook |
| author2 |
Alemán, Carlos, Alemán, Carlos, Alemán, Carlos. Ambrogi, V., Ambrogi, V., Ambrogi, Veronica. Bandeira, N. A. G., Bandeira, N. A. G., Bandeira, Nuno A.G., Bandeira, Nuno A.G., Bertran, Oscar, Bertran, Oscar, Bertran, Oscar. Cerruti, P., Cerruti, P., Cerruti, Pierfrancesco. Costa, Paulo J., Costa, Paulo J., Costa, Paulo. Fianchini, Mauro, Fianchini, Mauro, Fianchini, Mauro. Giamberini, M., Giamberini, M., Giamberini, Marta. Gulaczyk, Iwona, Gulaczyk, Iwona, Gulaczyk, Iwona. Jastrzab, Renata, Jastrzab, Renata, Jastrzab, Renata. Kaczmarek, Malgorzata Teresa. Kaczmarek, Małgorzata T., Kaczmarek, Małgorzata T., López, Xavier, López, Xavier, López, Xavier. Marturano, V., Marturano, V., Marturano, Valentina. Odani, Akira, Odani, Akira, Odani, Akira. Puiggalí, Jordi, Puiggalí, Jordi, Puiggalí, Jordi. Revilla-López, Guillem, Revilla-López, Guillem, Revilla-López, Guillem. Staszak, Katarzyna, Staszak, Katarzyna, Staszak, Katarzyna. Staszak, Maciej, Staszak, Maciej, Staszak, Maciej. Torras, Juan, Torras, Juan, Torras, Juan. Tsibranska, Irene, Tsibranska, Irene, Tsibranska, Irene. Turón, Pau, Turón, Pau, Turón, Pau. Tylkowski, B., Tylkowski, B., Tylkowski, Bartosz, Tylkowski, Bartosz, Tylkowski, Bartosz, Tylkowski, Bartosz, Vlaev, Serafim, Vlaev, Serafim, Vlaev, Serafim. Wieszczycka, Karolina, Wieszczycka, Karolina, Wieszczycka, Karolina. Zanuy, David, Zanuy, David, Zanuy, David. |
| author_facet |
Alemán, Carlos, Alemán, Carlos, Alemán, Carlos. Ambrogi, V., Ambrogi, V., Ambrogi, Veronica. Bandeira, N. A. G., Bandeira, N. A. G., Bandeira, Nuno A.G., Bandeira, Nuno A.G., Bertran, Oscar, Bertran, Oscar, Bertran, Oscar. Cerruti, P., Cerruti, P., Cerruti, Pierfrancesco. Costa, Paulo J., Costa, Paulo J., Costa, Paulo. Fianchini, Mauro, Fianchini, Mauro, Fianchini, Mauro. Giamberini, M., Giamberini, M., Giamberini, Marta. Gulaczyk, Iwona, Gulaczyk, Iwona, Gulaczyk, Iwona. Jastrzab, Renata, Jastrzab, Renata, Jastrzab, Renata. Kaczmarek, Malgorzata Teresa. Kaczmarek, Małgorzata T., Kaczmarek, Małgorzata T., López, Xavier, López, Xavier, López, Xavier. Marturano, V., Marturano, V., Marturano, Valentina. Odani, Akira, Odani, Akira, Odani, Akira. Puiggalí, Jordi, Puiggalí, Jordi, Puiggalí, Jordi. Revilla-López, Guillem, Revilla-López, Guillem, Revilla-López, Guillem. Staszak, Katarzyna, Staszak, Katarzyna, Staszak, Katarzyna. Staszak, Maciej, Staszak, Maciej, Staszak, Maciej. Torras, Juan, Torras, Juan, Torras, Juan. Tsibranska, Irene, Tsibranska, Irene, Tsibranska, Irene. Turón, Pau, Turón, Pau, Turón, Pau. Tylkowski, B., Tylkowski, B., Tylkowski, Bartosz, Tylkowski, Bartosz, Tylkowski, Bartosz, Tylkowski, Bartosz, Vlaev, Serafim, Vlaev, Serafim, Vlaev, Serafim. Wieszczycka, Karolina, Wieszczycka, Karolina, Wieszczycka, Karolina. Zanuy, David, Zanuy, David, Zanuy, David. |
| author2_variant |
c a ca c a ca c a ca v a va v a va v a va n a g b nag nagb n a g b nag nagb n a b na nab n a b na nab o b ob o b ob o b ob p c pc p c pc p c pc p j c pj pjc p j c pj pjc p c pc m f mf m f mf m f mf m g mg m g mg m g mg i g ig i g ig i g ig r j rj r j rj r j rj m t k mt mtk m t k mt mtk m t k mt mtk x l xl x l xl x l xl v m vm v m vm v m vm a o ao a o ao a o ao j p jp j p jp j p jp g r l grl g r l grl g r l grl k s ks k s ks k s ks m s ms m s ms m s ms j t jt j t jt j t jt i t it i t it i t it p t pt p t pt p t pt b t bt b t bt b t bt b t bt b t bt b t bt s v sv s v sv s v sv k w kw k w kw k w kw d z dz d z dz d z dz |
| author2_role |
MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR HerausgeberIn HerausgeberIn MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR TeilnehmendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR HerausgeberIn HerausgeberIn MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR MitwirkendeR MitwirkendeR TeilnehmendeR |
| author_sort |
Alemán, Carlos, |
| title |
Chemical Synergies : From the Lab to In Silico Modelling / |
| spellingShingle |
Chemical Synergies : From the Lab to In Silico Modelling / Frontmatter -- Preface -- Contents -- List of Contributing Authors -- 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry -- 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems -- 3. The Halogen bond: Nature and Applications -- 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates -- 5. Modeling of Azobenzene-Based Compounds -- 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules -- 7. Computer Analysis of Potentiometric data of complexes formation in the Solution -- 8. Reactive Extraction at Liquid–Liquid Systems -- 9. Membrane Processes -- 10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence -- 11. Applicability of DFT model in reactive distillation -- Index |
| title_sub |
From the Lab to In Silico Modelling / |
| title_full |
Chemical Synergies : From the Lab to In Silico Modelling / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski. |
| title_fullStr |
Chemical Synergies : From the Lab to In Silico Modelling / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski. |
| title_full_unstemmed |
Chemical Synergies : From the Lab to In Silico Modelling / ed. by Nuno A.G. Bandeira, Bartosz Tylkowski. |
| title_auth |
Chemical Synergies : From the Lab to In Silico Modelling / |
| title_alt |
Frontmatter -- Preface -- Contents -- List of Contributing Authors -- 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry -- 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems -- 3. The Halogen bond: Nature and Applications -- 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates -- 5. Modeling of Azobenzene-Based Compounds -- 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules -- 7. Computer Analysis of Potentiometric data of complexes formation in the Solution -- 8. Reactive Extraction at Liquid–Liquid Systems -- 9. Membrane Processes -- 10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence -- 11. Applicability of DFT model in reactive distillation -- Index |
| title_new |
Chemical Synergies : |
| title_sort |
chemical synergies : from the lab to in silico modelling / |
| publisher |
De Gruyter, |
| publishDate |
2018 |
| physical |
1 online resource (XIV, 310 p.) |
| contents |
Frontmatter -- Preface -- Contents -- List of Contributing Authors -- 1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry -- 2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems -- 3. The Halogen bond: Nature and Applications -- 4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates -- 5. Modeling of Azobenzene-Based Compounds -- 6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules -- 7. Computer Analysis of Potentiometric data of complexes formation in the Solution -- 8. Reactive Extraction at Liquid–Liquid Systems -- 9. Membrane Processes -- 10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence -- 11. Applicability of DFT model in reactive distillation -- Index |
| isbn |
9783110482065 9783110719550 9783110604252 9783110603255 9783110604221 9783110603224 9783110481365 9783110481358 |
| url |
https://doi.org/10.1515/9783110482065 https://www.degruyter.com/isbn/9783110482065 https://www.degruyter.com/cover/covers/9783110482065.jpg |
| illustrated |
Not Illustrated |
| dewey-hundreds |
500 - Science |
| dewey-tens |
540 - Chemistry |
| dewey-ones |
540 - Chemistry & allied sciences |
| dewey-full |
540 |
| dewey-sort |
3540 |
| dewey-raw |
540 |
| dewey-search |
540 |
| doi_str_mv |
10.1515/9783110482065 |
| oclc_num |
1037979876 |
| work_keys_str_mv |
AT alemancarlos chemicalsynergiesfromthelabtoinsilicomodelling AT ambrogiv chemicalsynergiesfromthelabtoinsilicomodelling AT ambrogiveronica chemicalsynergiesfromthelabtoinsilicomodelling AT bandeiranag chemicalsynergiesfromthelabtoinsilicomodelling AT bandeiranunoag chemicalsynergiesfromthelabtoinsilicomodelling AT bertranoscar chemicalsynergiesfromthelabtoinsilicomodelling AT cerrutip chemicalsynergiesfromthelabtoinsilicomodelling AT cerrutipierfrancesco chemicalsynergiesfromthelabtoinsilicomodelling AT costapauloj chemicalsynergiesfromthelabtoinsilicomodelling AT costapaulo chemicalsynergiesfromthelabtoinsilicomodelling AT fianchinimauro chemicalsynergiesfromthelabtoinsilicomodelling AT giamberinim chemicalsynergiesfromthelabtoinsilicomodelling AT giamberinimarta chemicalsynergiesfromthelabtoinsilicomodelling AT gulaczykiwona chemicalsynergiesfromthelabtoinsilicomodelling AT jastrzabrenata chemicalsynergiesfromthelabtoinsilicomodelling AT kaczmarekmalgorzatateresa chemicalsynergiesfromthelabtoinsilicomodelling AT kaczmarekmałgorzatat chemicalsynergiesfromthelabtoinsilicomodelling AT lopezxavier chemicalsynergiesfromthelabtoinsilicomodelling AT marturanov chemicalsynergiesfromthelabtoinsilicomodelling AT marturanovalentina chemicalsynergiesfromthelabtoinsilicomodelling AT odaniakira chemicalsynergiesfromthelabtoinsilicomodelling AT puiggalijordi chemicalsynergiesfromthelabtoinsilicomodelling AT revillalopezguillem chemicalsynergiesfromthelabtoinsilicomodelling AT staszakkatarzyna chemicalsynergiesfromthelabtoinsilicomodelling AT staszakmaciej chemicalsynergiesfromthelabtoinsilicomodelling AT torrasjuan chemicalsynergiesfromthelabtoinsilicomodelling AT tsibranskairene chemicalsynergiesfromthelabtoinsilicomodelling AT turonpau chemicalsynergiesfromthelabtoinsilicomodelling AT tylkowskib chemicalsynergiesfromthelabtoinsilicomodelling AT tylkowskibartosz chemicalsynergiesfromthelabtoinsilicomodelling AT vlaevserafim chemicalsynergiesfromthelabtoinsilicomodelling AT wieszczyckakarolina chemicalsynergiesfromthelabtoinsilicomodelling AT zanuydavid chemicalsynergiesfromthelabtoinsilicomodelling |
| status_str |
n |
| ids_txt_mv |
(DE-B1597)467113 (OCoLC)1037979876 |
| carrierType_str_mv |
cr |
| hierarchy_parent_title |
Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018 Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2018 English Title is part of eBook package: De Gruyter EBOOK PACKAGE COMPLETE 2018 Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chem., Mat.Sc, Geosc 2018 English Title is part of eBook package: De Gruyter EBOOK PACKAGE Physics, Chemistry, Materials Sc, Geosc 2018 |
| is_hierarchy_title |
Chemical Synergies : From the Lab to In Silico Modelling / |
| container_title |
Title is part of eBook package: De Gruyter DG Plus eBook-Package 2018 |
| author2_original_writing_str_mv |
noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField noLinkedField |
| _version_ |
1770177625289916416 |
| fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>08219nam a22014055i 4500</leader><controlfield tag="001">9783110482065</controlfield><controlfield tag="003">DE-B1597</controlfield><controlfield tag="005">20210830012106.0</controlfield><controlfield tag="006">m|||||o||d||||||||</controlfield><controlfield tag="007">cr || ||||||||</controlfield><controlfield tag="008">210830t20182018gw fo d z eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9783110482065</subfield></datafield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1515/9783110482065</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-B1597)467113</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)1037979876</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-B1597</subfield><subfield code="b">eng</subfield><subfield code="c">DE-B1597</subfield><subfield code="e">rda</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">gw</subfield><subfield code="c">DE</subfield></datafield><datafield tag="072" ind1=" " ind2="7"><subfield code="a">SCI013000</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">540</subfield><subfield code="2">23</subfield></datafield><datafield tag="245" ind1="0" ind2="0"><subfield code="a">Chemical Synergies :</subfield><subfield code="b">From the Lab to In Silico Modelling /</subfield><subfield code="c">ed. by Nuno A.G. Bandeira, Bartosz Tylkowski.</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Berlin ;</subfield><subfield code="a">Boston : </subfield><subfield code="b">De Gruyter, </subfield><subfield code="c">[2018]</subfield></datafield><datafield tag="264" ind1=" " ind2="4"><subfield code="c">©2018</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">1 online resource (XIV, 310 p.)</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">computer</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">online resource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="347" ind1=" " ind2=" "><subfield code="a">text file</subfield><subfield code="b">PDF</subfield><subfield code="2">rda</subfield></datafield><datafield tag="505" ind1="0" ind2="0"><subfield code="t">Frontmatter -- </subfield><subfield code="t">Preface -- </subfield><subfield code="t">Contents -- </subfield><subfield code="t">List of Contributing Authors -- </subfield><subfield code="t">1. Synthesis Meets Theory: Past, Present and Future of Rational Chemistry -- </subfield><subfield code="t">2. Close Contacts at the interface: Experimental-computational synergies for solving complexity problems -- </subfield><subfield code="t">3. The Halogen bond: Nature and Applications -- </subfield><subfield code="t">4. Effect of protonation, composition and isomerism on the redox properties and Electron (de)localization of classical polyoxometalates -- </subfield><subfield code="t">5. Modeling of Azobenzene-Based Compounds -- </subfield><subfield code="t">6. Gas-Phase High-Resolution molecular spectroscopy for Lav molecules -- </subfield><subfield code="t">7. Computer Analysis of Potentiometric data of complexes formation in the Solution -- </subfield><subfield code="t">8. Reactive Extraction at Liquid–Liquid Systems -- </subfield><subfield code="t">9. Membrane Processes -- </subfield><subfield code="t">10. The Problem of fouling in submerged membrane bioreactors – Model Validation and experimental evidence -- </subfield><subfield code="t">11. Applicability of DFT model in reactive distillation -- </subfield><subfield code="t">Index</subfield></datafield><datafield tag="506" ind1="0" ind2=" "><subfield code="a">restricted access</subfield><subfield code="u">http://purl.org/coar/access_right/c_16ec</subfield><subfield code="f">online access with authorization</subfield><subfield code="2">star</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">This book gives an overview of recent integrated and inter-disciplinary approaches between chemical experiment and theory in a variety of fields, from polymer science to materials chemistry and ranging from the design of tailored properties to catalysis and reactivity, building on the well-established success of Density Functional Theory as the foremost quantum chemical method to provide qualitative and quantitative interpretation of results from the chemical laboratory. The combination of several characterization techniques with an understanding at the molecular level of chemical and physical phenomena are the main focal point of the subject matter.</subfield></datafield><datafield tag="538" ind1=" " ind2=" "><subfield code="a">Mode of access: Internet via World Wide Web.</subfield></datafield><datafield tag="546" ind1=" " ind2=" "><subfield code="a">In English.</subfield></datafield><datafield tag="588" ind1="0" ind2=" "><subfield code="a">Description based on online resource; title from PDF title page (publisher's Web site, viewed 30. Aug 2021)</subfield></datafield><datafield tag="650" ind1=" " ind2="0"><subfield code="a">Chemistry, Physical and theoretical.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemische Analyse.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Qualitative Analyse.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Quantitative Analyse.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Theoretische Chemie.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">SCIENCE / Chemistry / General.</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Alemán, Carlos, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Alemán, Carlos.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ambrogi, V., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Ambrogi, Veronica.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bandeira, N. A. G., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bandeira, Nuno A.G., </subfield><subfield code="e">editor.</subfield><subfield code="4">edt</subfield><subfield code="4">http://id.loc.gov/vocabulary/relators/edt</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bertran, Oscar, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Bertran, Oscar.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Cerruti, P., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Cerruti, Pierfrancesco.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Costa, Paulo J., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Costa, Paulo.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Fianchini, Mauro, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Fianchini, Mauro.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Giamberini, M., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Giamberini, Marta.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Gulaczyk, Iwona, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Gulaczyk, Iwona.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Jastrzab, Renata, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Jastrzab, Renata.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kaczmarek, Malgorzata Teresa.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Kaczmarek, Małgorzata T., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">López, Xavier, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">López, Xavier.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Marturano, V., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Marturano, Valentina.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Odani, Akira, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Odani, Akira.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Puiggalí, Jordi, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Puiggalí, Jordi.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Revilla-López, Guillem, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Revilla-López, Guillem.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Staszak, Katarzyna, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Staszak, Katarzyna.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Staszak, Maciej, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Staszak, Maciej.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Torras, Juan, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Torras, Juan.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tsibranska, Irene, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tsibranska, Irene.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Turón, Pau, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Turón, Pau.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tylkowski, B., </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tylkowski, Bartosz, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Tylkowski, Bartosz, </subfield><subfield code="e">editor.</subfield><subfield code="4">edt</subfield><subfield code="4">http://id.loc.gov/vocabulary/relators/edt</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vlaev, Serafim, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Vlaev, Serafim.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wieszczycka, Karolina, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wieszczycka, Karolina.</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zanuy, David, </subfield><subfield code="e">contributor.</subfield><subfield code="4">ctb</subfield><subfield code="4">https://id.loc.gov/vocabulary/relators/ctb</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Zanuy, David.</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">DG Plus eBook-Package 2018</subfield><subfield code="z">9783110719550</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">EBOOK PACKAGE COMPLETE 2018 English</subfield><subfield code="z">9783110604252</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">EBOOK PACKAGE COMPLETE 2018</subfield><subfield code="z">9783110603255</subfield><subfield code="o">ZDB-23-DGG</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">EBOOK PACKAGE Physics, Chem., Mat.Sc, Geosc 2018 English</subfield><subfield code="z">9783110604221</subfield></datafield><datafield tag="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">EBOOK PACKAGE Physics, Chemistry, Materials Sc, Geosc 2018</subfield><subfield code="z">9783110603224</subfield><subfield code="o">ZDB-23-DPC</subfield></datafield><datafield tag="776" ind1="0" ind2=" "><subfield code="c">EPUB</subfield><subfield code="z">9783110481365</subfield></datafield><datafield tag="776" ind1="0" ind2=" "><subfield code="c">print</subfield><subfield code="z">9783110481358</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1515/9783110482065</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://www.degruyter.com/isbn/9783110482065</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="3">Cover</subfield><subfield code="u">https://www.degruyter.com/cover/covers/9783110482065.jpg</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">978-3-11-060422-1 EBOOK PACKAGE Physics, Chem., Mat.Sc, Geosc 2018 English</subfield><subfield code="b">2018</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">978-3-11-060425-2 EBOOK PACKAGE COMPLETE 2018 English</subfield><subfield code="b">2018</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">978-3-11-071955-0 DG Plus eBook-Package 2018</subfield><subfield code="b">2018</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_BACKALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_CL_CHCOMSGSEN</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_DGALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_EBACKALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_EBKALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_ECL_CHCOMSGSEN</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_EEBKALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_ESTMALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">EBA_STMALL</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">GBV-deGruyter-alles</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">PDA12STME</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">PDA13ENGE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">PDA18STMEE</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">PDA5EBK</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">ZDB-23-DGG</subfield><subfield code="b">2017</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">ZDB-23-DPC</subfield><subfield code="b">2018</subfield></datafield></record></collection> |