MARC details
| 000 -LEADER |
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| fixed length control field |
04896cam a2200445Ii 4500 |
| 001 - CONTROL NUMBER |
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| control field |
ocn911266396 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
OCoLC |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20240726104728.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
150622s2015 nyu ob 001 0 eng d |
| 040 ## - CATALOGING SOURCE |
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| Original cataloging agency |
NT |
| Language of cataloging |
eng |
| Description conventions |
rda |
| -- |
pn |
| Transcribing agency |
NT |
| Modifying agency |
NT |
| -- |
OCLCF |
| -- |
EBLCP |
| -- |
YDXCP |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9781634823111 |
| Qualifying information |
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| 050 04 - LIBRARY OF CONGRESS CALL NUMBER |
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| Classification number |
QD480 |
| Item number |
.A383 2015 |
| 049 ## - LOCAL HOLDINGS (OCLC) |
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| Holding library |
MAIN |
| 245 10 - TITLE STATEMENT |
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| Title |
Advances in chemical modelingMihai V. Putz, editor. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. |
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| Place of publication, distribution, etc. |
New York : |
| Name of publisher, distributor, etc. |
Nova Science Publishers, Incorporated, |
| Date of publication, distribution, etc. |
(c)2015. |
| 300 ## - PHYSICAL DESCRIPTION |
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| Extent |
1 online resource. |
| 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 |
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| Carrier type term |
online resource |
| Carrier type code |
cr |
| Source |
rdacarrier |
| 347 ## - DIGITAL FILE CHARACTERISTICS |
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| File type |
data file |
| Source |
rda |
| 490 1# - SERIES STATEMENT |
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| Series statement |
Chemistry research and applications |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
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| Bibliography, etc. note |
Includes bibliographies and index. |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
ADVANCES IN CHEMICAL MODELING. VOLUME 5; ADVANCES IN CHEMICAL MODELING. VOLUME 5; Library of Congress Cataloging-in-Publication Data; Contents; Preface: Modeling Nano-Chemistry; PART I: STRUCTURAL PHYSICAL CHEMISTRY; Chapter 1: Chemical Orthogonal Spaces (COSs): From Structure to Reactivity to Biological Activity; Abstract; 1. Introduction; 2. COS1: Chemical Reactivity; 2.1. Electronegativty and Chemical Hardness; 2.2. Golden Ratio Driving Chemical Reactivity 10.; 2.3. Chemical Power Index; 2.4. Structural Coloring with Chemical Reactivity; 3. COS2: Electronic Localization |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
3.1. Electronic Localization Function3.2. Electronic Density Derivatives; 4. COS3: Bondonic Condensation of Chemical Bonding; 5. COS4: Enzyme-Substrate Interaction's Logistics; 6. COS5: Chemical Structure-Biological Activity Correlation; Conclusion; Acknowledgment; References; Chapter 2: Bonding in Orthogonal Space of a Chemical Structure: From in Cerebro to in Silico*; Abstract; 1. Introduction; 2. Theory of Orthogonal Chemical Bonding (OCB); 2.1. Extending the Heisenberg Uncertainty Principle; 2.2. The Principle of Chemical Action among the Reactivity Principles |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
2.3. QSAR Employing the Reactivity DFT. Applications on Nano-Materials with Biological Response2.4. Orthogonal-Quantum Modeling of Chemical Bond by Bondons and Associate Nano-Systemic Properties; 3. Special-Orthogonal Theories of Chemical Structure-Biological Activity Relationships (SO-SAR); 3.1. Double-QSAR Algorithm in Chemical Reactivity; 3.2. Variational-Orthogonal Modeling of Chemical Bonding of the Ligand-Receptor Interaction by QSAR; 4. Towards a Unified Theory of Special Orthogonal Chemical Bonding with Biological Activity (SO-OCB-SAR) |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
4.1. Orthogonal Algorithms of Residual-QSAR and of Alert-QSAR (as doubled-QSAR algorithms) in Modeling of Carcinogenicity and Mutagenicity4.2. Orthogonal Multidimensional Models for Chemical Reactivity Correlated with Bio-Eco-Pharmacological Activity on Quantum, Nano- and Spectral- Information; 4.3. Modeling the Topo-Dynamics of Chemical Bonding within the Multidimensional Orthogonal Space of Chemical Reactivity; Conclusion; Note and Acknowledgments; References; Chapter 3: Thermolysis Reaction in Diperoxide and the Effect of Functional Groups; Abstract; Introduction; Materials and Methods |
| 505 00 - FORMATTED CONTENTS NOTE |
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| Formatted contents note |
Equipment and Working ConditionsCalculation Methods; Results and Discussion; Conclusion; References; Chapter 4: Do the Fukui Function and Local Softness Specify the Softest and Hardest Regions of Porphyrin?; Abstract; 1. Introduction; 2. The Global Reactivity Parameters; 3. The Local Reactivity Parameters; 4. The Atomic Charge; 5. Method of Computation; Conclusion; References; Chapter 5: Theoretical Investigation on β-Cyclodextrin Inclusion Compounds with Protonated Sulconazole by Semi-Empirical AM1 and PM3 Calculations; Abstract; Introduction; Method of Calculation |
| 520 0# - SUMMARY, ETC. |
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| Summary, etc. |
In the 1970s, when something like chemical graph theory and molecular topology arose, the quantum chemical community began to criticize it, mainly with the argument that it reduced chemistry to mathematics, to empty meaningless numbers, to non-physical interpretable indices, to a combinatory without synthesis counterpart, to an algebra (matrices and polynomials) exercise; moreover, since the kenographs were mainly the objects of the chemical graph theory study, id est the chemical structures' skeleton (mostly of carbon-based contents) excluded the hydrogen structural influence (the most abundant. |
| 530 ## - COPYRIGHT INFORMATION: |
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| COPYRIGHT INFORMATION |
COPYRIGHT NOT covered - Click this link to request copyright permission: |
| Uniform Resource Identifier |
<a href="b">b</a> |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
Chemical models. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
Atoms. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
Chemical models. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM |
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| Topical term or geographic name entry element |
Physical sciences. |
| 655 #1 - INDEX TERM--GENRE/FORM |
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| Genre/form data or focus term |
Electronic Books. |
| 700 1# - ADDED ENTRY--PERSONAL NAME |
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| Personal name |
Putz, Mihai V., |
| Relator term |
|
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
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| -- |
Click to access digital title | log in using your CIU ID number and my.ciu.edu password. |
| Uniform Resource Identifier |
<a href="httpss://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=1014847&site=eds-live&custid=s3260518">httpss://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=1014847&site=eds-live&custid=s3260518</a> |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
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| Koha item type |
Online Book (LOGIN USING YOUR MY CIU LOGIN AND PASSWORD) |
| DONATED BY: |
|
| VENDOR |
EBSCO |
| Classification part |
QD |
| PUBLICATION YEAR |
2015 |
| LOCATION |
ONLINE |
| REQUESTED BY: |
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NFIC |
| Source of classification or shelving scheme |
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| 994 ## - |
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| -- |
92 |
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NT |
| 902 ## - LOCAL DATA ELEMENT B, LDB (RLIN) |
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| a |
1 |
| b |
Cynthia Snell |
| c |
1 |
| d |
Cynthia Snell |