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100106s2010 nyu ob 001 0 eng |
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|a UAMI
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| 245 |
0 |
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|a Macrocyclic chemistry :
|b new research developments /
|c Dániel W. Fitzpatrick and Henry J. Ulrich, editors.
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| 264 |
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1 |
|a Hauppauge, N.Y. :
|b Nova Science Publishers,
|c ©2010.
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| 300 |
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|a 1 online resource
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| 336 |
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|a text
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|a Chemistry research and applications
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| 504 |
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|a Includes bibliographical references and index.
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0 |
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|a Print version record.
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| 546 |
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|a English.
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0 |
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|a MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; MACROCYCLIC CHEMISTRY: NEW RESEARCH DEVELOPMENTS; CONTENTS ; PREFACE ; TETRAAZACYCLOTETRADECANE SPECIES AS MODELS OF THE POLYAZACROWN MACROCYCLES: MOLECULAR STRUCTURE AND REORGANIZATIONS IN AQUEOUS MEDIA (PH 0-14) AS PROBED BY NMR SPECTROSCOPY AND COMPUTATIONAL METHODS -- PROBLEMS AND SOLUTIONS; ABSTRACT ; 1. INTRODUCTION -- AZACROWNS AS MULTIPURPOSE LIGANDS OR RECEPTORS (STRUCTURAL ASPECTS) ; 2. NMR SPECTROSCOPY OF TETRAAZACYCLOTETRADECANES AND STRUCTURALLY SIMILAR POLYAZA MACRORINGS.
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| 505 |
8 |
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|a 2.1. NMR Measurements for Polyamines in Aqueous Solutions (General Remarks) 2.2. Determining Protonation Mechanisms Through NMR pH-Titration Spectroscopy ; 2.2.1. Amino protonation-induced changes in eXs ; 2.2.2. Use of empirical 'shielding constants' ; 2.2.3. Use of empirical 'amine shift parameters' ; 2.2.4. Similarity of pH-titration profiles (1H and 13C NMR spectra) ; 2.2.5. 13C NMR line-broadening effects; 2.3. pH-Driven Internal Dynamics in Azacrowns as Probed by the 13C T1 Rates [83]
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| 505 |
8 |
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|a 2.4. Polyamine 3 in the Strongly Acidic Medium: a Rejection of the Working Proposal of an Active Participation of the Nitrate Anion [85] 3. COMPUTATIONAL METHODS FOR AZACROWN MACROCYCLES AND RELATED POLYPROTONATED SPECIES ; 3.1. MMX vs. OPLS-AA Force Field (Creation of Initial Molecular Models) ; 3.2. Overall Conformations of the Macrocycles Forced by Their Dynamics ; 3.3. Empirically Corrected (Linearly Scaled) DFT GIAO-based Predictions of eXs for Aqueous Solutions; 3.4. Behind a 'Free-Molecule' Approach ; 4. POLYAZA AND OTHER MACROCYCLES -- SOME CURRENT ACHIEVEMENTS ; 5. CONCLUSION.
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| 505 |
8 |
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|a ABSTRACT 1. INTRODUCTION ; 2. AN APPROXIMATE EVALUATION OF POSSIBLE INFLUENCE FACTORS ON THE INTERMOLECULAR INTERACTIONS BETWEEN CDS AND GUESTS; 3. A CAREFUL COMPARISON OF THE INCLUSION INTERACTIONS BETWEEN CDS AND A SERIES OF ANALOGUES ; 4. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL D ; 5. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL C ; 6. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL B ; 7. REPRESENTATIVE INCLUSION SYSTEMS IN LEVEL A; 8. THE DISCRIMINATION BEHAVIOR OF THE SAME GUEST TO A GROUP CDS ; 9. SEVERAL EXAMPLES OF CD INCLUSION COMPLEXES WITH STOICHIOMETRIES OTHER THAN 1:1.
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|a eBooks on EBSCOhost
|b EBSCO eBook Subscription Academic Collection - Worldwide
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| 650 |
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0 |
|a Macrocyclic compounds.
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| 650 |
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6 |
|a Composés macrocycliques.
|
| 650 |
|
7 |
|a SCIENCE
|x Chemistry
|x Organic.
|2 bisacsh
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| 650 |
|
7 |
|a Macrocyclic compounds
|2 fast
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| 700 |
1 |
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|a Fitzpatrick, Dániel W.,
|e editor.
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| 700 |
1 |
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|a Ulrich, Henry J.,
|e editor.
|
| 776 |
0 |
8 |
|i Print version:
|t Macrocyclic chemistry.
|d Hauppauge, N.Y. : Nova Science Publishers, ©2010
|z 9781608768967
|w (DLC) 2009052736
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| 830 |
|
0 |
|a Chemistry research and applications series.
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|u https://ebsco.uam.elogim.com/login.aspx?direct=true&scope=site&db=nlebk&AN=346061
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