000			04957cam a2200445 i 4500
001			ocn917551357
003			OCoLC
005			20240726104730.0
008			200520t20152015nyu ob 001 0 eng
010			_a2019716547
040			_aDLC _beng _erda _cDLC _dNT _dYDXCP _dOCLCF _dEBLCP _dAU@
020			_a9781634827317 _q((electronic)l(electronic)ctronic)
042			_apcc
050	0	0	_aQD400 _b.D473 2015
049			_aMAIN
245	1	0	_aDescriptors, structural and spectroscopic properties of heterocyclic derivatives of importance for health and the environment /Silvia A. Brandán, editor.
260			_aNew York : _bNova Publishers, _c(c)2015.
300			_a1 online resource.
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
347			_adata file _2rda
490	1		_aPublic health in the 21st century
504			_a2
505	0	0	_aDESCRIPTORS, STRUCTURAL ANDSPECTROSCOPIC PROPERTIES OFHETEROCYCLIC DERIVATIVES OFIMPORTANCE FOR HEALTHAND THE ENVIRONMENT; DESCRIPTORS, STRUCTURAL ANDSPECTROSCOPIC PROPERTIES OFHETEROCYCLIC DERIVATIVES OFIMPORTANCE FOR HEALTHAND THE ENVIRONMENT; Library of Congress Cataloging-in-Publication Data; CONTENTS; PREFACE; Chapter 1: STRUCTURAL AND VIBRATIONAL PROPERTIES OF A REVERSE INHIBITOR AGAINST THE HIV VIRUS, DIDEOXYNUCLEOSIDE ZALCITABINE IN GAS AND AQUEOUS SOLUTION PHASES.; ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; CONCLUSION.
505	0	0	_aACKNOWLEDGMENTSREFERENCES; Chapter 2:STRUCTURAL AND VIBRATIONAL PROPERTIES OFOXCARBAZEPINE, A POLYMORPHICANTICONVULSANT SUBSTANCE, BY USING DFTAND SCRF CALCULATIONS; ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; CONCLUSION; ACKNOWLEDGMENT; REFERENCES; Chapter 3:PREDICTING CONFORMATIONS, STRUCTURAL ANDTOPOLOGICAL PROPERTIES AND REACTIVITIES OF AFLUORINATED BENZOTHIAZOL DERIVATIVE WITHPOTENTIAL BIOLOGICAL ACTIVITIES; ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; CONCLUSION; ACKNOWLEDGMENTS; REFERENCES.
505	0	0	_aChapter 4:STRUCTURAL AND VIBRATIONAL PROPERTIESOF 5-TRIFLUOROMETHYLURACIL DERIVATIVECOMBINING DFT AND SCRF CALCULATIONSWITH THE SQM METHODOLOGYABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE CONSTANTS; CONCLUSION; ACKNOWLEDGMENT; REFERENCES; Chapter 5:STRUCTURAL AND VIBRATIONAL PROPERTIESOF THE TWO ENANTIOMERS OF ETODOLAC:A COMPLETE ASSIGNMENT OF THEVIBRATIONAL SPECTRA; ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; HOMO-LUMO ENERGY GAP; CONCLUSION; ACKNOWLEDGMENTS; REFERENCES.
505	0	0	_aChapter 6:A STRUCTURAL AND SPECTROSCOPIC STUDYON BENZISOXAZOLE METHANE SULFONIC ACIDSODIUM SALT (BOSNA)ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; CONCLUSION; ACKNOWLEDGMENTS; REFERENCES; Chapter 7:STRUCTURAL AND VIBRATIONAL STUDYOF A POWERFUL ENVIRONMENTAL POLLUTANTAGENT, THE HEXACHLOROBENZENE COMPOUND; ABSTRACT; INTRODUCTION; EXPERIMENTAL METHODS; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; HOMO-LUMO ENERGY GAP; CONCLUSION; ACKNOWLEDGMENTS; REFERENCES.
505	0	0	_aChapter 8:VIBRATIONAL STUDYOF 2,4-DICHLOROPHENOXY ACETIC ACIDIN ACETONE SOLUTIONABSTRACT; INTRODUCTION; EXPERIMENTAL METHODS; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; VIBRATIONAL ANALYSIS; FORCE FIELD; HOMO-LUMO ENERGY GAP; CONCLUSION; ACKNOWLEDGMENTS; REFERENCES; Chapter 9:PREDICTION OF REACTIVITIESOF SULFONYLUREAS HERBICIDESUSING DIFFERENT DESCRIPTORS; ABSTRACT; INTRODUCTION; COMPUTATIONAL DETAILS; RESULTS AND DISCUSSION; STRUCTURAL PROPERTIES; CONCLUSION; ACKNOWLEDGMENT; REFERENCES; INDEX.
520	0		_aThe compounds that contain heterocyclic rings in their structures present diverse properties according to the number and nature of the different substitute to which they are united. Thus, these derivatives are broadly studied from different points of view. This book presents important studies related to the structures, vibrational spectra and descriptors of two series of heterocyclic derivatives; on one hand, some derivatives are of importance for the health and, on the other hand, others are of environmental importance. Chapters 1 to 6 are oriented towards the first series of derivatives broa.
530			_a2 _ub
650		0	_aHeterocyclic compounds.
650		0	_aHeterocyclic chemistry.
655		1	_aElectronic Books.
700	1		_aBrandán, Silvia A., _e5
856	4	0	_zClick to access digital title | log in using your CIU ID number and my.ciu.edu password. _uhttpss://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=1049874&site=eds-live&custid=s3260518
942			_cOB _D _eEB _hQD _m2015 _QOL _R _x _8NFIC _2LOC
994			_a92 _bNT
999			_c76413 _d76413
902			_a1 _bCynthia Snell _c1 _dCynthia Snell