MARC details
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07682cam a2200745Ia 4500 |
| 001 - CONTROL NUMBER |
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ocm73520089 |
| 003 - CONTROL NUMBER IDENTIFIER |
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OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20241002151149.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS |
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m d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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cr cnu---unuuu |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
061018s1992 enka ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE |
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| Original cataloging agency |
N$T |
| Language of cataloging |
eng |
| Description conventions |
pn |
| Transcribing agency |
N$T |
| Modifying agency |
YDXCP |
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OCLCQ |
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OCLCG |
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OCLCQ |
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E7B |
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OCLCQ |
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IDEBK |
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OCLCQ |
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OCLCF |
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OCLCO |
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OCLCQ |
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NLGGC |
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OCLCQ |
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AZK |
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LOA |
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COCUF |
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AGLDB |
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MOR |
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PIFAG |
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YDX |
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OCLCQ |
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U3W |
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STF |
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WRM |
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OCLCQ |
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VTS |
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NRAMU |
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INT |
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OCLCQ |
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AU@ |
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UKCRE |
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OCLCQ |
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OCLCO |
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CUS |
| 019 ## - |
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144218773 |
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647836333 |
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748537572 |
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814458405 |
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819510788 |
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821692057 |
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961592462 |
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962699058 |
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966199537 |
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988519795 |
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991926169 |
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1035654932 |
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1037697547 |
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1038691110 |
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1045550211 |
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1097147653 |
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1153519602 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
1429407018 |
| Qualifying information |
(electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9781429407014 |
| Qualifying information |
(electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
1280523298 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9781280523298 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| Canceled/invalid ISBN |
9780195044034 |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| Canceled/invalid ISBN |
0195044037 |
| 035 ## - SYSTEM CONTROL NUMBER |
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| System control number |
169788 |
| -- |
(N$T) |
| 035 ## - SYSTEM CONTROL NUMBER |
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| System control number |
(OCoLC)73520089 |
| Canceled/invalid control number |
(OCoLC)144218773 |
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(OCoLC)647836333 |
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(OCoLC)748537572 |
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(OCoLC)814458405 |
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(OCoLC)819510788 |
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(OCoLC)821692057 |
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(OCoLC)961592462 |
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(OCoLC)962699058 |
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(OCoLC)966199537 |
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(OCoLC)988519795 |
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(OCoLC)991926169 |
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(OCoLC)1035654932 |
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(OCoLC)1037697547 |
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(OCoLC)1038691110 |
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(OCoLC)1045550211 |
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(OCoLC)1097147653 |
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(OCoLC)1153519602 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
QE516.3 |
| Item number |
.T67 1992eb |
| 072 #7 - SUBJECT CATEGORY CODE |
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| Subject category code |
SCI |
| Subject category code subdivision |
030000 |
| Source |
bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE |
|---|
| Subject category code |
SCI |
| Subject category code subdivision |
031000 |
| Source |
bisacsh |
| 072 #7 - SUBJECT CATEGORY CODE |
|---|
| Subject category code |
PNRP |
| Source |
bicssc |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
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| Classification number |
551.9 |
| Edition number |
22 |
| 049 ## - LOCAL HOLDINGS (OCLC) |
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| Holding library |
MAIN |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Tossell, John A., |
| Relator term |
author. |
| 9 (RLIN) |
368585 |
| 245 10 - TITLE STATEMENT |
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| Title |
Theoretical geochemistry : |
| Remainder of title |
applications of quantum mechanics in the earth and mineral sciences / |
| Statement of responsibility, etc. |
John A. Tossell, David J. Vaughan. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Place of publication, distribution, etc. |
Oxford ; |
| -- |
New York : |
| Name of publisher, distributor, etc. |
Oxford University Press, |
| Date of publication, distribution, etc. |
1992. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
1 online resource (xiv, 514 pages) : |
| Other physical details |
illustrations |
| 336 ## - CONTENT TYPE |
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| Content type term |
text |
| Content type code |
txt |
| Source |
rdacontent |
| 337 ## - MEDIA TYPE |
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| Media type term |
computer |
| Media type code |
c |
| Source |
rdamedia |
| 338 ## - CARRIER TYPE |
|---|
| Carrier type term |
online resource |
| Carrier type code |
cr |
| Source |
rdacarrier |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
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| Bibliography, etc |
Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
Cover -- CONTENTS -- 146; INTRODUCTION -- 146;1 Historical perspective8212;ionic and atomistic approaches -- 146;2 Crystal45;field theory and the geochemistry of the transition metals -- 146;3 Quantum chemistry -- 146;4 Solid45;state quantum physics 40;band theory and related approaches41; -- 146;5 Quantum geochemistry -- 146;6 Models and methods -- EXPERIMENTAL METHODS -- 1 Diffraction effects -- 146;1 X45;ray diffraction -- 146;2 Neutron diffraction -- 146;3 Electron diffraction and associated phenomena -- 2 Electron and x45;ray spectroscopy -- 1 Photoelectron spectroscopy 40;and Auger electron spectroscopy41; -- 2 X45;ray emission spectroscopy -- 3 X45;ray absorption spectroscopy 40;including EXAFS and XANES41; -- 3 Optical 40;uv8211;visible8211;near45;ir41; spectroscopy -- 346;1 Electronic 40;optical41; absorption spectroscopy -- 346;2 Reflectance 40;diffuse and specular41; spectroscopy -- 4 Vibrational spectroscopy -- 446;1 Theoretical basis -- 446;2 Infrared spectroscopy -- 446;3 Raman spectroscopy -- 446;4 Reporting of data -- 5 Nuclear spectroscopy -- 546;1 Nuclear quadrupole resonance -- 546;2 Nuclear magnetic resonance -- 546;3 The Mssbauer effect -- 6 Other methods -- 646;1 Electron spin resonance -- 7 Concluding remarks -- 346; THEORETICAL METHODS -- 346;1 Elements of quantum mechanics -- 346;2 Details of Hartree8211;Fock8211;Roothaan calculations58; Choice of basis set -- 346;1 Minimum basis sets -- 346;2 Extended basis sets58; Double45;38;35;95059; bases -- 346;3 Extended basis sets58; Polarized bases -- 346;4 Extended basis sets58; Other approaches -- 346;5 Basis set and calculated properties -- 346;3 Improvements on the Hartree8211;Fock wave function -- 346;4 Dependence of computation time on basis45;set size 40;and property calculated41; for Hartree8211;Fock8211;Roothaan and configuration45;interaction calculations -- 346;5 Prediction of properties other than equilibrium geometries from Hartree8211;Fock8211;Roothaan calculations -- 346;6 Evaluation of spectral and other experimental parameters using Hartree8211;Fock8211;Roothaan calculations -- 346;7 Approximate Hartree8211;Fock methods -- 346;8 Hartree8211;Fock band45;structure calculations -- 346;9 Elements of density45;functional theory -- 346;10 The multiple45;scattering or scattered45;wave X45;38;35;94559; method -- 346;11 Density45;functional band theory -- 346;12 Theoretical ionic models8212;the modified electron45;gas approach -- 346;13 Simulation methods -- 346;14 Combined local45;density45;functional molecular dynamics approach -- 346;15 Relationships between localized and delocalized approaches -- 346;1546;1 Orbital and band energies -- 346;1546;2 Incorporation of external atoms of the solid into cluster calculations -- 346;16 Concluding remarks on different theoretical approaches -- 446; APPLICATION OF QUANTUM45;MECHANICAL METHODS TO SIMPLE INORGANIC 34;MOLECULES34; OF RELEVANCE TO MINERALOGY44; AND TO OXIDE M. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc. |
This work is based on the observation that further major advances in geochemistry, particularly in understanding the rules that govern the ways in which elements come together to form minerals and rocks, will require the application of the theories of quantum mechanics. The book therefore outlines this theoretical background and discusses the models used to describe bonding in geochemical systems. It is the first book to describe and critically review the application of quantum mechanical theories to minerals and geochemical systems. The book consolidates valuable findings from chemistry and materials science as well as mineralogy and geochemistry, and the presentation has relevance to professionals in a wide range of disciplines. Experimental techniques are surveyed, but the emphasis is on applying theoretical tools to various groups of minerals: the oxides, silicates, carbonates, borates, and sulfides. Other topics dealt with in depth include structure, stereochemistry, bond strengths and stabilities of minerals, various physical properties, and the overall geochemical distribution of the elements. |
| 588 0# - SOURCE OF DESCRIPTION NOTE |
|---|
| Source of description note |
Print version record. |
| 590 ## - LOCAL NOTE (RLIN) |
|---|
| Local note |
WorldCat record variable field(s) change: 650 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Analytical geochemistry. |
| 9 (RLIN) |
154889 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Quantum chemistry. |
| 9 (RLIN) |
1519 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Mineralogical chemistry. |
| 9 (RLIN) |
105110 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemical bonds. |
| 9 (RLIN) |
104722 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry, Inorganic. |
| 9 (RLIN) |
115595 |
| 650 #6 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Géochimie analytique. |
| 9 (RLIN) |
130892 |
| 650 #6 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chimie quantique. |
| 9 (RLIN) |
100952 |
| 650 #6 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chimie inorganique. |
| 9 (RLIN) |
101850 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
inorganic chemistry. |
| Source of heading or term |
aat |
| 9 (RLIN) |
120101 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
SCIENCE |
| General subdivision |
Earth Sciences |
| -- |
Geography. |
| Source of heading or term |
bisacsh |
| 9 (RLIN) |
55452 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
SCIENCE |
| General subdivision |
Earth Sciences |
| -- |
Geology. |
| Source of heading or term |
bisacsh |
| 9 (RLIN) |
97777 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Analytical geochemistry. |
| Source of heading or term |
fast |
| Authority record control number |
(OCoLC)fst00808346 |
| 9 (RLIN) |
154889 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemical bonds. |
| Source of heading or term |
fast |
| Authority record control number |
(OCoLC)fst00852856 |
| 9 (RLIN) |
104722 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Mineralogical chemistry. |
| Source of heading or term |
fast |
| Authority record control number |
(OCoLC)fst01022399 |
| 9 (RLIN) |
105110 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Quantum chemistry. |
| Source of heading or term |
fast |
| Authority record control number |
(OCoLC)fst01085086 |
| 9 (RLIN) |
1519 |
| 655 #4 - INDEX TERM--GENRE/FORM |
|---|
| Genre/form data or focus term |
Electronic books. |
| 9 (RLIN) |
396 |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Vaughan, David J., |
| Dates associated with a name |
1946- |
| Relator term |
author. |
| 9 (RLIN) |
368586 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Relationship information |
Print version: |
| Main entry heading |
Tossell, John A. |
| Title |
Theoretical geochemistry. |
| Place, publisher, and date of publication |
Oxford ; New York : Oxford University Press, 1992 |
| International Standard Book Number |
0195044037 |
| Record control number |
(DLC) 90021551 |
| -- |
(OCoLC)22663243 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
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| Materials specified |
EBSCOhost |
| Uniform Resource Identifier |
<a href="https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=169788">https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=169788</a> |
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EBRY |
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ebr10358281 |
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EBSCOhost |
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EBSC |
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169788 |
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ProQuest MyiLibrary Digital eBook Collection |
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IDEB |
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52329 |
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YBP Library Services |
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YANK |
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3104764 |
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YBP Library Services |
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YANK |
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2480036 |
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92 |
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N$T |