Molecular Modeling Theory : : Applications in the Geosciences / / ed. by Randall T. Cygan, James D. Kubicki.
Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools...
Saved in:
Superior document: | Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 |
---|---|
MitwirkendeR: | |
HerausgeberIn: | |
Place / Publishing House: | Berlin ;, Boston : : De Gruyter, , [2018] ©2001 |
Year of Publication: | 2018 |
Language: | English |
Series: | Reviews in Mineralogy & Geochemistry ,
42 |
Online Access: | |
Physical Description: | 1 online resource (XII, 531 p.) |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
id |
9781501508721 |
---|---|
ctrlnum |
(DE-B1597)493259 (OCoLC)1083592295 |
collection |
bib_alma |
record_format |
marc |
spelling |
Molecular Modeling Theory : Applications in the Geosciences / ed. by Randall T. Cygan, James D. Kubicki. Berlin ; Boston : De Gruyter, [2018] ©2001 1 online resource (XII, 531 p.) text txt rdacontent computer c rdamedia online resource cr rdacarrier text file PDF rda Reviews in Mineralogy & Geochemistry , 1529-6466 ; 42 Frontmatter -- FOREWORD -- DEDICATION -- PREFACE AND ACKNOWLEDGMENTS -- Table of Contents -- 1. Molecular Modeling in Mineralogy and Geochemistry -- 2. Simulating the Crystal Structures and Properties of Ionic Materials From Interatomic Potentials -- 3. Application of Lattice Dynamics and Molecular Dynamics Techniques to Minerals and Their Surfaces -- 4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding -- 5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces -- 6. Molecular Models of Surface Relaxation, Hydroxylation, and Surface Charging at Oxide-Water Interfaces -- 7. Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment -- 8. Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions -- 9. First Principles Theory of Mantle and Core Phases -- 10. A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules -- 11. Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach -- 12. Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species -- 13. Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations -- 14. Molecular Orbital Modeling and Transition State Theory in Geochemistry restricted access http://purl.org/coar/access_right/c_16ec online access with authorization star Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems.The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia. Issued also in print. 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 28. Feb 2023) Geowissenschaften. Molekültheorie. Roanoke. SCIENCE / Earth Sciences / Mineralogy. bisacsh Beverly, Lesa L., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Boisen, Monte B., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Bourova, Ekatarina, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cooke, David J., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cygan, Randall T., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Cygan, Randall T., editor. edt http://id.loc.gov/vocabulary/relators/edt Felipe, Mihali A., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gale, Julian D., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Garofalini, Stephen H., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Gibbs, G. V., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kalinichev, Andrey G., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kubicki, James D., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Kubicki, James D., editor. edt http://id.loc.gov/vocabulary/relators/edt Parker, Steve C., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Rosso, Kevin M., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Rustad, James R., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Sherman, David M., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Stixrude, Lars, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Tossell, John D., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Xiao, Yitian, contributor. ctb https://id.loc.gov/vocabulary/relators/ctb de Leeuw, Nora H., contributor. ctb https://id.loc.gov/vocabulary/relators/ctb Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 9783110637212 ZDB-23-GPS print 9780939950546 https://doi.org/10.1515/9781501508721 https://www.degruyter.com/isbn/9781501508721 Cover https://www.degruyter.com/document/cover/isbn/9781501508721/original |
language |
English |
format |
eBook |
author2 |
Beverly, Lesa L., Beverly, Lesa L., Boisen, Monte B., Boisen, Monte B., Bourova, Ekatarina, Bourova, Ekatarina, Cooke, David J., Cooke, David J., Cygan, Randall T., Cygan, Randall T., Cygan, Randall T., Cygan, Randall T., Felipe, Mihali A., Felipe, Mihali A., Gale, Julian D., Gale, Julian D., Garofalini, Stephen H., Garofalini, Stephen H., Gibbs, G. V., Gibbs, G. V., Kalinichev, Andrey G., Kalinichev, Andrey G., Kubicki, James D., Kubicki, James D., Kubicki, James D., Kubicki, James D., Parker, Steve C., Parker, Steve C., Rosso, Kevin M., Rosso, Kevin M., Rustad, James R., Rustad, James R., Sherman, David M., Sherman, David M., Stixrude, Lars, Stixrude, Lars, Tossell, John D., Tossell, John D., Xiao, Yitian, Xiao, Yitian, de Leeuw, Nora H., de Leeuw, Nora H., |
author_facet |
Beverly, Lesa L., Beverly, Lesa L., Boisen, Monte B., Boisen, Monte B., Bourova, Ekatarina, Bourova, Ekatarina, Cooke, David J., Cooke, David J., Cygan, Randall T., Cygan, Randall T., Cygan, Randall T., Cygan, Randall T., Felipe, Mihali A., Felipe, Mihali A., Gale, Julian D., Gale, Julian D., Garofalini, Stephen H., Garofalini, Stephen H., Gibbs, G. V., Gibbs, G. V., Kalinichev, Andrey G., Kalinichev, Andrey G., Kubicki, James D., Kubicki, James D., Kubicki, James D., Kubicki, James D., Parker, Steve C., Parker, Steve C., Rosso, Kevin M., Rosso, Kevin M., Rustad, James R., Rustad, James R., Sherman, David M., Sherman, David M., Stixrude, Lars, Stixrude, Lars, Tossell, John D., Tossell, John D., Xiao, Yitian, Xiao, Yitian, de Leeuw, Nora H., de Leeuw, Nora H., |
author2_variant |
l l b ll llb l l b ll llb m b b mb mbb m b b mb mbb e b eb e b eb d j c dj djc d j c dj djc r t c rt rtc r t c rt rtc r t c rt rtc r t c rt rtc m a f ma maf m a f ma maf j d g jd jdg j d g jd jdg s h g sh shg s h g sh shg g v g gv gvg g v g gv gvg a g k ag agk a g k ag agk j d k jd jdk j d k jd jdk j d k jd jdk j d k jd jdk s c p sc scp s c p sc scp k m r km kmr k m r km kmr j r r jr jrr j r r jr jrr d m s dm dms d m s dm dms l s ls l s ls j d t jd jdt j d t jd jdt y x yx y x yx l n h d lnh lnhd l n h d lnh lnhd |
author2_role |
MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR HerausgeberIn HerausgeberIn MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR HerausgeberIn HerausgeberIn MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR MitwirkendeR |
author_sort |
Beverly, Lesa L., |
title |
Molecular Modeling Theory : Applications in the Geosciences / |
spellingShingle |
Molecular Modeling Theory : Applications in the Geosciences / Reviews in Mineralogy & Geochemistry , Frontmatter -- FOREWORD -- DEDICATION -- PREFACE AND ACKNOWLEDGMENTS -- Table of Contents -- 1. Molecular Modeling in Mineralogy and Geochemistry -- 2. Simulating the Crystal Structures and Properties of Ionic Materials From Interatomic Potentials -- 3. Application of Lattice Dynamics and Molecular Dynamics Techniques to Minerals and Their Surfaces -- 4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding -- 5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces -- 6. Molecular Models of Surface Relaxation, Hydroxylation, and Surface Charging at Oxide-Water Interfaces -- 7. Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment -- 8. Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions -- 9. First Principles Theory of Mantle and Core Phases -- 10. A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules -- 11. Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach -- 12. Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species -- 13. Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations -- 14. Molecular Orbital Modeling and Transition State Theory in Geochemistry |
title_sub |
Applications in the Geosciences / |
title_full |
Molecular Modeling Theory : Applications in the Geosciences / ed. by Randall T. Cygan, James D. Kubicki. |
title_fullStr |
Molecular Modeling Theory : Applications in the Geosciences / ed. by Randall T. Cygan, James D. Kubicki. |
title_full_unstemmed |
Molecular Modeling Theory : Applications in the Geosciences / ed. by Randall T. Cygan, James D. Kubicki. |
title_auth |
Molecular Modeling Theory : Applications in the Geosciences / |
title_alt |
Frontmatter -- FOREWORD -- DEDICATION -- PREFACE AND ACKNOWLEDGMENTS -- Table of Contents -- 1. Molecular Modeling in Mineralogy and Geochemistry -- 2. Simulating the Crystal Structures and Properties of Ionic Materials From Interatomic Potentials -- 3. Application of Lattice Dynamics and Molecular Dynamics Techniques to Minerals and Their Surfaces -- 4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding -- 5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces -- 6. Molecular Models of Surface Relaxation, Hydroxylation, and Surface Charging at Oxide-Water Interfaces -- 7. Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment -- 8. Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions -- 9. First Principles Theory of Mantle and Core Phases -- 10. A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules -- 11. Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach -- 12. Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species -- 13. Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations -- 14. Molecular Orbital Modeling and Transition State Theory in Geochemistry |
title_new |
Molecular Modeling Theory : |
title_sort |
molecular modeling theory : applications in the geosciences / |
series |
Reviews in Mineralogy & Geochemistry , |
series2 |
Reviews in Mineralogy & Geochemistry , |
publisher |
De Gruyter, |
publishDate |
2018 |
physical |
1 online resource (XII, 531 p.) Issued also in print. |
contents |
Frontmatter -- FOREWORD -- DEDICATION -- PREFACE AND ACKNOWLEDGMENTS -- Table of Contents -- 1. Molecular Modeling in Mineralogy and Geochemistry -- 2. Simulating the Crystal Structures and Properties of Ionic Materials From Interatomic Potentials -- 3. Application of Lattice Dynamics and Molecular Dynamics Techniques to Minerals and Their Surfaces -- 4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding -- 5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces -- 6. Molecular Models of Surface Relaxation, Hydroxylation, and Surface Charging at Oxide-Water Interfaces -- 7. Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment -- 8. Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions -- 9. First Principles Theory of Mantle and Core Phases -- 10. A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules -- 11. Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach -- 12. Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species -- 13. Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations -- 14. Molecular Orbital Modeling and Transition State Theory in Geochemistry |
isbn |
9781501508721 9783110637212 9780939950546 |
issn |
1529-6466 ; |
url |
https://doi.org/10.1515/9781501508721 https://www.degruyter.com/isbn/9781501508721 https://www.degruyter.com/document/cover/isbn/9781501508721/original |
illustrated |
Not Illustrated |
dewey-hundreds |
500 - Science |
dewey-tens |
540 - Chemistry |
dewey-ones |
549 - Mineralogy |
dewey-full |
549/.13 |
dewey-sort |
3549 213 |
dewey-raw |
549/.13 |
dewey-search |
549/.13 |
doi_str_mv |
10.1515/9781501508721 |
oclc_num |
1083592295 |
work_keys_str_mv |
AT beverlylesal molecularmodelingtheoryapplicationsinthegeosciences AT boisenmonteb molecularmodelingtheoryapplicationsinthegeosciences AT bourovaekatarina molecularmodelingtheoryapplicationsinthegeosciences AT cookedavidj molecularmodelingtheoryapplicationsinthegeosciences AT cyganrandallt molecularmodelingtheoryapplicationsinthegeosciences AT felipemihalia molecularmodelingtheoryapplicationsinthegeosciences AT galejuliand molecularmodelingtheoryapplicationsinthegeosciences AT garofalinistephenh molecularmodelingtheoryapplicationsinthegeosciences AT gibbsgv molecularmodelingtheoryapplicationsinthegeosciences AT kalinichevandreyg molecularmodelingtheoryapplicationsinthegeosciences AT kubickijamesd molecularmodelingtheoryapplicationsinthegeosciences AT parkerstevec molecularmodelingtheoryapplicationsinthegeosciences AT rossokevinm molecularmodelingtheoryapplicationsinthegeosciences AT rustadjamesr molecularmodelingtheoryapplicationsinthegeosciences AT shermandavidm molecularmodelingtheoryapplicationsinthegeosciences AT stixrudelars molecularmodelingtheoryapplicationsinthegeosciences AT tosselljohnd molecularmodelingtheoryapplicationsinthegeosciences AT xiaoyitian molecularmodelingtheoryapplicationsinthegeosciences AT deleeuwnorah molecularmodelingtheoryapplicationsinthegeosciences |
status_str |
n |
ids_txt_mv |
(DE-B1597)493259 (OCoLC)1083592295 |
carrierType_str_mv |
cr |
hierarchy_parent_title |
Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 |
is_hierarchy_title |
Molecular Modeling Theory : Applications in the Geosciences / |
container_title |
Title is part of eBook package: De Gruyter DGBA Physical Sciences 2000 - 2014 |
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 |
_version_ |
1770177062721552384 |
fullrecord |
<?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>06598nam a22009375i 4500</leader><controlfield tag="001">9781501508721</controlfield><controlfield tag="003">DE-B1597</controlfield><controlfield tag="005">20230228123812.0</controlfield><controlfield tag="006">m|||||o||d||||||||</controlfield><controlfield tag="007">cr || ||||||||</controlfield><controlfield tag="008">230228t20182001gw fo d z eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781501508721</subfield></datafield><datafield tag="024" ind1="7" ind2=" "><subfield code="a">10.1515/9781501508721</subfield><subfield code="2">doi</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-B1597)493259</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)1083592295</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">SCI048000</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="082" ind1="0" ind2="4"><subfield code="a">549/.13</subfield><subfield code="q">OCoLC</subfield><subfield code="2">21/eng/20230216</subfield></datafield><datafield tag="245" ind1="0" ind2="0"><subfield code="a">Molecular Modeling Theory :</subfield><subfield code="b">Applications in the Geosciences /</subfield><subfield code="c">ed. by Randall T. Cygan, James D. Kubicki.</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">©2001</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">1 online resource (XII, 531 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="490" ind1="0" ind2=" "><subfield code="a">Reviews in Mineralogy & Geochemistry ,</subfield><subfield code="x">1529-6466 ;</subfield><subfield code="v">42</subfield></datafield><datafield tag="505" ind1="0" ind2="0"><subfield code="t">Frontmatter -- </subfield><subfield code="t">FOREWORD -- </subfield><subfield code="t">DEDICATION -- </subfield><subfield code="t">PREFACE AND ACKNOWLEDGMENTS -- </subfield><subfield code="t">Table of Contents -- </subfield><subfield code="t">1. Molecular Modeling in Mineralogy and Geochemistry -- </subfield><subfield code="t">2. Simulating the Crystal Structures and Properties of Ionic Materials From Interatomic Potentials -- </subfield><subfield code="t">3. Application of Lattice Dynamics and Molecular Dynamics Techniques to Minerals and Their Surfaces -- </subfield><subfield code="t">4. Molecular Simulations of Liquid and Supercritical Water: Thermodynamics, Structure, and Hydrogen Bonding -- </subfield><subfield code="t">5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces -- </subfield><subfield code="t">6. Molecular Models of Surface Relaxation, Hydroxylation, and Surface Charging at Oxide-Water Interfaces -- </subfield><subfield code="t">7. Structure and Reactivity of Semiconducting Mineral Surfaces: Convergence of Molecular Modeling and Experiment -- </subfield><subfield code="t">8. Quantum Chemistry and Classical Simulations of Metal Complexes in Aqueous Solutions -- </subfield><subfield code="t">9. First Principles Theory of Mantle and Core Phases -- </subfield><subfield code="t">10. A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules -- </subfield><subfield code="t">11. Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach -- </subfield><subfield code="t">12. Calculating the NMR Properties of Minerals, Glasses, and Aqueous Species -- </subfield><subfield code="t">13. Interpretation of Vibrational Spectra Using Molecular Orbital Theory Calculations -- </subfield><subfield code="t">14. Molecular Orbital Modeling and Transition State Theory in Geochemistry</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">Volume 42 of Reviews in Mineralogy and Geochemistry covers the Applications in the Geosciences via Molecular Modeling Theory. We hope the content of this review volume will help the interested reader to quickly develop an appreciation for the fundamental theories behind the molecular modeling tools and to become aware of the limits in applying these state-of-the-art methods to solve geosciences problems.The review chapters in this volume were the basis for a short course on molecular modeling theory jointly sponsored by the Geochemical Society (GS) and the Mineralogical Society of America (MSA) May 18-20, 2001 in Roanoke, Virginia which was held prior to the 2001 Goldschmidt Conference in nearby Hot Springs, Virginia.</subfield></datafield><datafield tag="530" ind1=" " ind2=" "><subfield code="a">Issued also in print.</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 28. Feb 2023)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Geowissenschaften.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Molekültheorie.</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Roanoke.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">SCIENCE / Earth Sciences / Mineralogy.</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Beverly, Lesa L., </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">Boisen, Monte 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">Bourova, Ekatarina, </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">Cooke, David 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">Cygan, Randall 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">Cygan, Randall T., </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">Felipe, Mihali A., </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">Gale, Julian D., </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">Garofalini, Stephen H., </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">Gibbs, G. 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">Kalinichev, Andrey 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">Kubicki, James D., </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">Kubicki, James D., </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">Parker, Steve C., </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">Rosso, Kevin 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">Rustad, James R., </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">Sherman, David 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">Stixrude, Lars, </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">Tossell, John D., </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">Xiao, Yitian, </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">de Leeuw, Nora H., </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="773" ind1="0" ind2="8"><subfield code="i">Title is part of eBook package:</subfield><subfield code="d">De Gruyter</subfield><subfield code="t">DGBA Physical Sciences 2000 - 2014</subfield><subfield code="z">9783110637212</subfield><subfield code="o">ZDB-23-GPS</subfield></datafield><datafield tag="776" ind1="0" ind2=" "><subfield code="c">print</subfield><subfield code="z">9780939950546</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://doi.org/10.1515/9781501508721</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://www.degruyter.com/isbn/9781501508721</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="3">Cover</subfield><subfield code="u">https://www.degruyter.com/document/cover/isbn/9781501508721/original</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-GPS</subfield><subfield code="c">2000</subfield><subfield code="d">2014</subfield></datafield></record></collection> |