Theoretical and Computational Research in the 21th Century PDF
Preview Theoretical and Computational Research in the 21th Century
Theoretical Computational Research 21 Century Theoretical andC omputational Research in the2 1 s tCentury and in the st TcoTchTomhimsip hsvp uaveutalatuTloatuaitoabrihTobnleenlaee haltb lobcio eoccooronokoancke feclr ofept oceptaiucitncoutisonesdianessc ,ssClm ,aam oasaal saiwmnn iwnleadylelnpy l lo lCdao nuasno stCm t htmmahoeoe odtrm deieprelecoilecunipnenngntgt u ata da andletndtev ad evRis eloitsolmeioipmnpuosmumleaaenlatenalitntoai srton sRlnoc oo f oheffRa fsal s lpsle ilpeetn yecsty paicfeptieifhrcesia c secro r erofh2 esfct esht1e ahheariesocnro trhc erih Cetntt ihthtc eiheacetemnalh ,ml 2e,emt esmu 1sa2c atocrhsto1vhetyev emersmCirtani atengiCtcg inaac ealall,tll n l,sau csanticndreiude ny ntritfiyifci c IslaIslam aTnhdi st evcalhunaibclae lb doioskc ifpocliunseess mfraoimnly c ohne mthies trreyc,e npth dyesvieclso,p amnedn tes nogf ianlle etyrpinesg o tfo t hbeioorleotgicya la, nmda tmheemdaictiicnael,. aTnhde book contains I m atitnmicadmone mdteley lptyc eurh cetrThnaevhntiviiciieoTciscaneow halvwaml is alsdd slp caiuiv susoanaaccntnldbiiacuppd ltealreil pioeb rintbnnesleieooeesas noea slbf sarkrcof,cor ro ofahcmonoksh mc c c c wufeoch opescoveclethevmluis eroeas iirmmnsseni tssmnragi ,ysm ig o,antf drupsalfyey uhinw,nl yn idonlpesdynailghc lam o sytamah,nsen saei end ctn mn thrssdaet,eio al mce d alrena uneenangllcdtnaiiden n tdd eniegao enet anp vragdp ipenoniepllnfdgovi lee s epistpeedlomioerdm cpirbe nieurimnfogesiltclaeess o ttnea rgoioeartoy fsscrn b e ahcao ainhlo ofrlad f c la ats ohsmylpsg lpptp eeyheteedcy cestcaipmi csftnoeii sencfdis s ne i t ron.m hc eafo Te salevthoellhed eralrdei ericbdointcsioiirghnccsoe aicekattplii.hl ,cpl lc e Tiamolsnmilhcnn,eai teeeemsta snh isb notae coiosftmfo h oifncv eak neamt raitcicuatonaurtngliar,c t alaaaa lllin l,n dsas cn ide ntislamfic IsIsla scsicteiimenTneclhecyes cr,es eo,i vomniaincenprwlcduulesu td taatdeitnniciidnohgc ngn rata eihtclslh eeac eailor ridn rchih cshi ecscipitospotCtviloreoioirrnnciiensacms,gal alfrf rspuero nepwmudpreae rlctmeslh easeaeennstmnt tmaiatilatos oittaoidrnnonyed,nsl a i pasnap lhagnp yn dlsRaid ienpc dedsph , rhi ssealiisoemnleosdaauosr olpecraphnhtc hgiiaociishnnacpale e o lecp frtp esisner p isrgneps cpateiolefcl i tcbcdi2t viiiroseve1clessoi.speg .la yirn caeChns e doth fnm enmaettdueuisrc raicln yoev.e Trihneg b aolol ksc cieonnttiafiinc s lamm Theoretical and technical disacnipdli nes from chemistry, physics, and engineerinign tot hbieo logy satnd medicine. 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Ala rqlD Oc,gadnaau pela Bpljo,u.ocsd ud.artsndceD ue noarn ynpJdlriieo.nas aHrolrcr srdp piea,lcewrnuoscdtmteg n lrrnuseo nayfMnunauleis o euhduare tn shraln yOfag arJcimt SsiohlOnsslrsA.ia rqrjagut can a e optsliStg p.rc umnAaasqtdct guunJtm r ntudeechuiceoh laO,saghaccoleudnleaersw .nh, niyrf eannaece puDsl hnn .ean,cn w,ed HtT ordieSsdrr emh.aAatnonqDIm,cgteleH rns i srcn nM seluycfDuoecTettcynDsah siai i Mdmu tc e,oJhfmep tisieSanOw ,.Aa lqe iagnetct fJ ombn nnBaOcyia s HercnDuohasr nsanotTiuori. ac ty ccntsfio nbie h aMjnw,utt,lusdhe rtHrnemhc p lomn hTnooiteyJdm HconeOr smhrceauegeo,alhctTeoooognasi o ea Mjnueymkr eSctenhTeontr upraingna,c,tlmJo hcmo eceOc ay dcrnu erymchayitTlaIonitr,soehceys n, hn eniryi leneh tucoTp,oohctfas,c bnbnpTaa htd mef edreaftrrtmfhnibnbpucIuThiool upe yic rcny lno BeSeyiatnTioobe oT,laohyat,ohaseaoSs ldomc. ua cleo,llhlkrtnfcoer bbnSicil lo stiga rcaHysskTd Socoeo yiciiagTiooilyg,nohh yoecesoececoi o n. graoi,lhT,tnddfcynehc bbnin l ocennr riHckeehScoeh,dec h TTiooasacgetyd Hnecocooo en,cge iaiTaapo,llhth ychm tfepcsucni lr o ssiri ypl,khhtecoeh.ef,ecpieacmte gco e utotnso pTafugae Hatastyelryceru.Sainnprleuc u siha ee p,lchs rSSncHecna e ctc abflea tspTaaStrietcicu seeatcul tlh iTldcpluhri iciS iipnatnc aahaoeTedessetSiibfecantcldnneoesh en ucnenuci latl d rnThc Sddneincn ii asnrssoeSoeh cdeec , cilseh rdH nconcitf ne,sa tiesTd ye mh iitfc.u snsersoee ydo ee,.imedHeanoc n tnf ssH aymh rrce .sareoc er e,e ineHao hc tfs st riyreh. thecch Century 21 e iinthe st Hahae tnal Research 2rnes inthe hc han earch Ce 21inthe starch Cen 21inthe stResearch 21inthe stesearch C 21inthe st ENdaiztomrul IslaEmENdENENidd,adat aioiPzizttztrhoommomDrrruuulll IIIsssllalaammm,, , PPhhDD functional theory (CDFT), periodicity, SAR, QSAR/QSPR study, drug design, HMO theory, biological function of 1 nt Ce Editor Nazmul Islam, PhD chemical compounds, quantum biology, nanochemistry, and more. ISBN: 978-1-77188-903030-060 Cest tururyentntu Nazmul Islam, PhD PhD n yur y t r ISBN: 978-1-77188-033-6 u y ISBNI:S 9B7N8:- 19-7787-118-787-10983083-0-060303-6 r 90000 y ISBN: 978-1-77188-03930-6000 9 781771 880336 ISBN: 978-1-77188-033-6 90000 90000 9 781771 880336 9 7819777181878701383860336 9 781771 880336 www.appleacademicpress.com 9 781771 880336 THEORETICAL AND COMPUTATIONAL RESEARCH IN THE 21ST CENTURY THEORETICAL AND COMPUTATIONAL RESEARCH IN THE 21ST CENTURY Edited by Nazmul Islam, PhD Apple Academic Press TORONTO NEW JERSEY CRC Press Apple Academic Press, Inc Taylor & Francis Group 3333 Mistwell Crescent 6000 Broken Sound Parkway NW, Suite 300 Oakville, ON L6L 0A2 Boca Raton, FL 33487-2742 Canada © 2015 by Apple Academic Press, Inc. 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Trademark Notice: Product or corporate names may be trademarks or registered trademarks, and are used only for identification and explanation without intent to infringe. Visit the Taylor & Francis Web site at http://www.taylorandfrancis.com and the CRC Press Web site at http://www.crcpress.com For information about Apple Academic Press product http://www.appleacademicpress.com ABOUT THE EDITOR Nazmul Islam, PhD Nazmul Islam, PhD, is now working as an assistant professor in the Department of Basic Sciences & Humanities at Techno Global-Balurghat (now Techno India-Balurghat),Balurghat, D. Dinajpur, India. He has pub- lished more than 60 research papers in several prestigious peer-reviewed journals and has written many book chapters and research books. In addi- tion, he is the editor-in-chief of The SciTech, Journal of Science and Tech- nology; The SciTech, International Journal of Engineering Sciences; and the Signpost Open Access Journal of Theoretical Sciences. He also serves as a member on the editorial boards of several journals. Dr. Islam has been selected for inclusion in the 2011 and 2012 (11th and 12th) editions of Who’s Who in Science and Engineering by the publisher of Who’s Who in America. He has also been included in 2000 Outstanding Intellectuals of the 21st Century in 2011 and selected as a member of IBC Top 100 Scientists in the year 2012 by International Biographical Centre, Cambridge, England. Dr. Islam’s research interests are in theoretical chemistry, particularly quantum chemistry, conceptual density functional theory (CDFT), perio- dicity, SAR, QSAR/QSPR study, drug design, HMO theory, biological function of chemical compounds, quantum biology, nanochemistry, and more. CONTENTS List of Contributors ....................................................................................ix Notes on Contributors ................................................................................xi List of Abbreviations ..................................................................................xv List of Symbols ........................................................................................xvii Preface .....................................................................................................xix 1. The Time Evolution of the Hard and Soft Acids and Bases Theory .......1 Nazmul Islam and Dulal C. Ghosh 2. Magneto Hydrodynamic Effects on an Atherosclerotic Artery: A Theoretical Study ..................................................................................59 Ratan Kumar Bose 3. A Fast Solver for the Backward Heat Conduction Problem in Unbounded Domains ................................................................................75 Rafael G. Campos and Adolfo Huet 4. Steganographic Method for Color Images Using Variance Field Estimation and Scaling Factor for Energy Conservation .....................89 Blanca E. Carvajal-Gámez,Francisco J. Gallegos-Funes, and J. López-Bonilla 5. Overview of Quantum Computation .....................................................107 Hernando Efrain Caicedo-Ortiz and Elizabeth Santiago-Cortes 6. Classical Charged Particles in Arbitrary Motion ................................119 J. H. Caltenco, J. López–Bonilla, and Laurian Ioan Piscoran 7. Second-Order Linear Differential Equation in Its Exact Form .........147 A. Hernández–Galeana and J. M. Rivera-Rebolledo 8. On the Operator Exp (2 λ (p + q)) .........................................................151 J. Morales, G. Ovando, R. Cruz-Santiago, and J. López-Bonilla 9. Quantum Computational Studies on Porphycene ...............................157 Nazmul Islam viii Contents 10. The Evaluation of Protonation Energy of Molecules in Terms of Quantum Theoretical Descriptors .....................................................197 Sandip Kumar Rajak and Dulal C. Ghosh 11. Analysis of Casson Fluid Model for Blood Flow in Externally Applied Magnetic Field ..........................................................................237 Ratan Kumar Bose Index .........................................................................................................253 LIST OF CONTRIBUTORS Blanca E. Carvajal-Gámez Unidad Profesional Interdisciplinaria de Ingeniería y Tecnologías Avanzadas (Professional Unit Engi- neering and Advanced Technologies), Av. IPN 2580, Barrio La Laguna, Ticoman, CP 07740 México DF. Email: [email protected] Hernando Efrain Caicedo-Ortiz Grupo de Ingeniería y Tecnologías Cuánticas, Corporación Universitaria Autónoma del Cauca, Calle 5 No. 3-85, Popayán, Colombia; Facultad de Ingeniería, Área de Ciencias Básicas Universidad Anahuac; Av. Universidad Anáhuac núm. 46, Col. Lomas Anáhuac, C.P. 52786, Huix- quilucan, Estado de México, México; Instituto de Educación Media Superior del Distrito Federal— IEMS, San Lorenzo No. 290, Col. Del Valle Sur, C.P. 03100, Del. Benito Juárez, Ciudad de México, México. Email: [email protected] J. H. Caltenco Franca ESIME-Zacatenco, Instituto Politécnico Nacional, Edif. 5, 1er. Piso, Col. Lindavista, México DF, CP 07738, Email: [email protected] Rafael G. Campos Facultad de Ciencias Físico-Matemáticas,Universidad Michoacana, 58060, Morelia, Mich., México. Email: [email protected] R. Cruz-Santiago ESIME-Zacatenco, Instituto Politécnico Nacional, Edif.5, 1er. Piso, Col. Lindavista CP 07738, México DF. Email: [email protected] Dulal C. Ghosh Department of Chemistry, University of Kalyani, Kalyani-741235, India. Email: dcghosh1@rediffmail. com Francisco J. Gallegos-Funes Escuela Superior de Ingeniería Mecánica y Eléctrica (Mechanical and Electrical Engineering Higher School), Av. IPN s/n, ESIME SEPI-Electrónica, Lindavista, 07738, México DF. Email: fgallegos@ ipn.mx A. Hernández-Galeana Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional (IPN), Edif.9, Col. Lindavista, CP 07738, México DF. Email: [email protected] Adolfo Huet Facultad de Ciencias Físico-Matemáticas,Universidad Michoacana, 58060, Morelia, Mich., México. Email: [email protected] Laurian Ioan Piscoran Department of Mathematics and Computer Science, North Univ. Center of Baia Mare, Victoriei 76, 430 122 Baia Mare, Romania. Email: [email protected]
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