001442488 000__ 04207cam\a2200541\a\4500
001442488 001__ 1442488
001442488 003__ OCoLC
001442488 005__ 20230310003421.0
001442488 006__ m\\\\\o\\d\\\\\\\\
001442488 007__ cr\un\nnnunnun
001442488 008__ 211024s2022\\\\sz\\\\\\o\\\\\001\0\eng\d
001442488 019__ $$a1280309608$$a1280390771$$a1287768211
001442488 020__ $$a9783030832445$$q(electronic bk.)
001442488 020__ $$a3030832449$$q(electronic bk.)
001442488 020__ $$z3030832430
001442488 020__ $$z9783030832438
001442488 0247_ $$a10.1007/978-3-030-83244-5$$2doi
001442488 035__ $$aSP(OCoLC)1280276580
001442488 040__ $$aYDX$$beng$$epn$$cYDX$$dGW5XE$$dDCT$$dOCLCF$$dOCLCO$$dN$T$$dOCLCO$$dOCLCQ
001442488 049__ $$aISEA
001442488 050_4 $$aQD455.3.E4
001442488 08204 $$a541.0285$$223
001442488 24500 $$aPractical aspects of computational chemistry V /$$cJerzy Leszczynski, Manoj K. Shukla, editors.
001442488 2463_ $$aPractical aspects of computational chemistry 5
001442488 260__ $$aCham, Switzerland :$$bSpringer,$$c[2022]
001442488 300__ $$a1 online resource
001442488 336__ $$atext$$btxt$$2rdacontent
001442488 337__ $$acomputer$$bc$$2rdamedia
001442488 338__ $$aonline resource$$bcr$$2rdacarrier
001442488 347__ $$atext file
001442488 347__ $$bPDF
001442488 500__ $$aIncludes index.
001442488 5050_ $$aIntroductory Roadmap to Current Reactive Force-field Methodologies -- Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry -- First-Principles Modeling of Non-Covalent Interactions in Molecular Systems and Extended Materials -- DNA Damage Radiosensitizers Geared Towards Hydrated Electrons -- Application of Computational Chemistry for Contaminant Adsorption on the Components of Soil Surfaces -- Application of Computational Approaches to Analysis of Multistep Chemical Reactions of Energetic Materials: Hydrolysis of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) -- Dataset Modelability by QSAR: Continuous Response Variable -- A Cluster Model for Interpretation of Surface-Enhanced Raman Scattering of Organic Compounds Interacting with Silver Nanoparticles.
001442488 506__ $$aAccess limited to authorized users.
001442488 520__ $$aThis book presents contributions on a wide range of computational research applied to fields ranging from molecular systems to bulk structures. This volume highlights current trends in modern computational chemistry and discusses the development of theoretical methodologies, state-of-the-art computational algorithms and their practical applications. This volume is part of a continuous effort by the editors to document recent advances by prominent researchers in the area of computational chemistry. Most of the chapters are contributed by invited speakers and participants to International annual conference "Current Trends in Computational Chemistry" organized by Jerzy Leszczynski, one of the editors of the current volume. This conference series has become an exciting platform for eminent theoretical and computational chemists to discuss their recent findings and is regularly honored by the presence of Nobel laureates. Topics covered in the book include reactive force-field methodologies, coarse-grained modeling, DNA damage radiosensitizers, modeling and simulation of surfaces and interfaces, non-covalent interactions, and many others. The book is intended for theoretical and computational chemists, physical chemists, material scientists and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. It is a valuable resource for undergraduate, graduate and PhD students as well as for established researchers
001442488 588__ $$aOnline resource; title from PDF title page (SpringerLink, viewed November 1, 2021).
001442488 650_0 $$aChemistry, Physical and theoretical$$xData processing.
001442488 650_6 $$aChimie physique et théorique$$xInformatique.
001442488 655_0 $$aElectronic books.
001442488 7001_ $$aLeszczynski, Jerzy,$$d1949-$$eeditor.
001442488 7001_ $$aShukla, Manoj K.,$$eeditor.
001442488 77608 $$iPrint version:$$z3030832430$$z9783030832438$$w(OCoLC)1259049677
001442488 852__ $$bebk
001442488 85640 $$3Springer Nature$$uhttps://univsouthin.idm.oclc.org/login?url=https://link.springer.com/10.1007/978-3-030-83244-5$$zOnline Access$$91397441.1
001442488 909CO $$ooai:library.usi.edu:1442488$$pGLOBAL_SET
001442488 980__ $$aBIB
001442488 980__ $$aEBOOK
001442488 982__ $$aEbook
001442488 983__ $$aOnline
001442488 994__ $$a92$$bISE