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02813nam a22004455i 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
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| control field |
OSt |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20140310153336.0 |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION |
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| fixed length control field |
cr nn 008mamaa |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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121026s2013 ne | s |||| 0|eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
9789400757547 |
|
978-94-007-5754-7 |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD450-801 |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER |
|---|
| Classification number |
541.2 |
| Edition number |
23 |
| 264 #1 - |
|---|
| -- |
Dordrecht : |
| -- |
Springer Netherlands : |
| -- |
Imprint: Springer, |
| -- |
2013. |
| 912 ## - |
|---|
| -- |
ZDB-2-CMS |
| 100 1# - MAIN ENTRY--PERSONAL NAME |
|---|
| Personal name |
Brandán, Silvia A. |
| Relator term |
author. |
| 245 12 - IMMEDIATE SOURCE OF ACQUISITION NOTE |
|---|
| Title |
A Structural and Vibrational Investigation into Chromylazide, Acetate, Perchlorate, and Thiocyanate Compounds |
| Medium |
[electronic resource] / |
| Statement of responsibility, etc |
by Silvia A. Brandán. |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
VI, 87 p. 9 illus., 1 illus. in color. |
| Other physical details |
online resource. |
| 440 1# - SERIES STATEMENT/ADDED ENTRY--TITLE |
|---|
| Title |
SpringerBriefs in Molecular Science, |
| International Standard Serial Number |
2191-5407 |
| 505 0# - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
Structural and Vibrational Properties of Chromyl Azide -- Structural and Vibrational Study on Chromyl Acetate in Different Media -- Theoretical Study on the Structural and Vibrational Properties of Chromyl Perchlorate -- Theoretical Structural and Vibrational DFT Calculations of Chromyl Thiocyanate. |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
A Structural and Vibrational Investigation into Chromyl Azide, Acetate, Perchlorate and Thiocyanate Compounds reviews the structural and vibrational properties of chromyl azide, acetate, perchlorate, and thiocyanate from a theoretical point of view by using Density Functional Theory (DFT) methods. These compounds are extensively used in organic syntheses and the study of their structure and spectroscopy has become fundamental. This book evaluates the best theoretical level and basis set to reproduce the experimental data existing for those compounds. To this end, the optimized geometries and wavenumbers for the normal modes of vibration are calculated and the obtained results are compared and analyzed. Also, the nature of the different types of bonds and their corresponding topological properties of electronic charge density are systematically and quantitatively investigated by using the NBO analysis and the atoms in molecules theory (AIM). |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry, inorganic. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry, Organic. |
|
|---|
| Topical term or geographic name as entry element |
Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Theoretical and Computational Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Inorganic Chemistry. |
|
|---|
| Topical term or geographic name as entry element |
Atomic/Molecular Structure and Spectra. |
|
|---|
| Topical term or geographic name as entry element |
Organic Chemistry. |
| 710 2# - ADDED ENTRY--CORPORATE NAME |
|---|
| Corporate name or jurisdiction name as entry element |
SpringerLink (Online service) |
| 773 0# - HOST ITEM ENTRY |
|---|
| Title |
Springer eBooks |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY |
|---|
| Display text |
Printed edition: |
| International Standard Book Number |
9789400757530 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS |
|---|
| Uniform Resource Identifier |
http://dx.doi.org/10.1007/978-94-007-5754-7 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
|
| Item type |
E-Book |
