02755nam 2200517 450 991015492080332120200520144314.0(CKB)3710000000965166(MiAaPQ)EBC4751479(DLC) 2016052630(JP-MeL)3000065195(Au-PeEL)EBL4751479(CaPaEBR)ebr11307546(CaONFJC)MIL974539(OCoLC)965772359(EXLCZ)99371000000096516620161028h20172017 uy| 0engurcnu||||||||txtrdacontentcrdamediacrrdacarrierIntroduction to computational chemistry /Frank JensenThird edition.Chichester, UK ;Hoboken, NJ :John Wiley & Sons,[2017]©20171 online resource (663 pages) illustrations1-118-82599-3 1-118-82598-5 Includes bibliographical references and index.Introduction -- Force field methods -- Hartree-Fock theory -- Electron correlation methods -- Basis sets -- Density functional methods -- Semi-empirical methods -- Valence bond methods -- Relativistic methods -- Wave function analysis -- Molecular properties -- Illustrating the concepts -- Optimization techniques -- Statistical mechanics and transition state theory -- Simulation techniques -- Qualitative theories -- Mathematical methods -- Statistics and QSAR -- Concluding remarks"Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields; Tight-binding DFT; More extensive DFT functionals, excited states and time dependent molecular properties; Accelerated Molecular Dynamics methods; Tensor decomposition methods; Cluster analysis; Reduced scaling and reduced prefactor methods" -- From the publisher.Chemistry, Physical and theoreticalData processingChemistry, Physical and theoreticalMathematicsElectronic books.Chemistry, Physical and theoreticalData processing.Chemistry, Physical and theoreticalMathematics.541.0285Jensen Frank149518MiAaPQMiAaPQMiAaPQBOOK9910154920803321Introduction to computational chemistry512383UNINA02325nam 2200529 450 991081193530332120230807193521.01-4438-8409-X(CKB)3710000000485879(EBL)4534881(Au-PeEL)EBL4534881(CaPaEBR)ebr11215894(CaONFJC)MIL838922(OCoLC)924632151(MiAaPQ)EBC4534881(EXLCZ)99371000000048587920160619h20152015 uy 0engur|n|---|||||rdacontentrdamediardacarrierAdaptations some journeys from words to visuals /edited by Shri Krishan Rai and Anugamini RaiNewcastle upon Tyne, England :Cambridge Scholars Publishing,2015.©20151 online resource (194 p.)Description based upon print version of record.1-4438-7466-3 Includes bibliographical references and index.This book invites readers to immerse themselves in the fantastic journey of written text to the screen. It is divided into two parts, the first of which broadly focuses on cinematic adaptations based on Indian literary texts. The second section explores the adaptations of literary works from other countries.In the world of Indian cinema, the first full-length Indian feature film, Raja Harishchandra, was based on a legend mentioned in Indian holy scriptures. Since then, several literary texts have been filmed, and this process has become a popular phenomenon. The recent film by Vishal Bhardwaj,Motion picturesIndiaCongressesFilm adaptationsIndiaHistory and criticismCongressesMotion pictures and literatureIndiaCongressesMotion picturesFilm adaptationsHistory and criticismMotion pictures and literature791.43091724Rai Shri KrishanRai AnugaminiLiterature to Cinema: Adaptation, Appropriation, Adulteration(West Bengal, India)MiAaPQMiAaPQMiAaPQBOOK9910811935303321Adaptations240848UNINA