LEADER 01688oam 2200445Ka 450 001 9910699099803321 005 20091210092615.0 035 $a(CKB)5470000002398883 035 $a(OCoLC)476735700 035 $a(EXLCZ)995470000002398883 100 $a20091210d2009 ua 0 101 0 $aeng 135 $aurmn||||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aAnalysis of structural materials exposed to a severe fire environment$b[electronic resource] /$fprepared by D.S.Dunn, R.E. Shewmaker, A.H. Chowdhury 210 1$aWashington, D.C. :$cU.S. Nuclear Regulatory Commission, Office of Nuclear Material Safety and Safeguards,$d2009. 215 $a1 online resource (73 unnumbered pages) $cillustrations (chiefly color) 300 $aTitle from PDF title screen (viewed don De. 10, 2009). 300 $a"C.Bajwa, NRC project manager." 300 $a"Manuscript completed: January 2009 ; Date published: February 2009." 300 $a"NUREG/CR-6987." 300 $a"NRC job code J5608." 320 $aIncludes bibliographical references. 606 $aFires 606 $aSteel, Structural$xTesting 615 0$aFires. 615 0$aSteel, Structural$xTesting. 700 $aDunn$b D. S$01404266 701 $aShewmaker$b R. E$01404267 701 $aChowdhury$b A. H$01404268 712 02$aU.S. Nuclear Regulatory Commission.$bOffice of Nuclear Material Safety and Safeguards. 801 0$bGPO 801 1$bGPO 801 2$bGPO 906 $aBOOK 912 $a9910699099803321 996 $aAnalysis of structural materials exposed to a severe fire environment$93478594 997 $aUNINA LEADER 04434nam 22006975 450 001 9910734857503321 005 20251009073431.0 010 $a981-9903-29-7 024 7 $a10.1007/978-981-99-0329-0 035 $a(MiAaPQ)EBC30615207 035 $a(Au-PeEL)EBL30615207 035 $a(DE-He213)978-981-99-0329-0 035 $a(PPN)272250937 035 $a(CKB)27357748700041 035 $a(EXLCZ)9927357748700041 100 $a20230701d2023 u| 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aNext Generation Quantum Theory of Atoms in Molecules $eFrom Stereochemistry to Photochemistry and Molecular Devices /$fby Samantha Jenkins, Steven Robert Kirk 205 $a1st ed. 2023. 210 1$aSingapore :$cSpringer Nature Singapore :$cImprint: Springer,$d2023. 215 $a1 online resource (237 pages) 225 1 $aLecture Notes in Chemistry,$x2192-6603 ;$v110 311 08$aPrint version: Jenkins, Samantha Next Generation Quantum Theory of Atoms in Molecules Singapore : Springer,c2023 9789819903283 320 $aIncludes bibliographical references and index. 327 $aIntroduction to Computational Quantum Chemistry -- Exploring the Topological Origins of QTAIM -- Bridging Scalar QTAIM and Vector-Based Next Generation QTAIM -- The NG-QTAIM Interpretation of the Chemical Bond. 330 $aThis book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are presented and activities at various levels of difficulty are provided for the readership to facilitate understanding. The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences of the developments of Next-Generation QTAIM (NG-QTAIM) that is a 3-D vector-based realization of QTAIM. The book compiles all developments and extensions of Next-Generation QTAIM in one place for easy reference for those engaged in theoretical/computational chemistry. Essential insights into molecular switch functioning not available from the energy barrier or any scalar measures are presented along with a new measure toassess the efficiency of rotary molecular motors. The book also discusses how the treatment of external forces such as electric fields and laser irradiation is included in NG-QTAIM. This book benefits theoretical/computational chemists/physics/engineers, students (graduate and undergraduate) and chemical/pharmaceutical industry researchers who carry out chemical computations in universities and industries. Where appropriate, Target Learning Outcomes and Further Reading are provided along with a list of the scientific goals to be addressed in addition to a glossary table in the summary sections. Where applicable each chapter concludes by outlining benefits, limitations and suggestions for further investigations. All our NG-QTAIM publications are available as pre-prints in the form of .pdf files along with the corresponding supplementary materials at our BEACON website www.beaconresearch.org. 410 0$aLecture Notes in Chemistry,$x2192-6603 ;$v110 606 $aQuantum chemistry 606 $aChemistry, Physical and theoretical 606 $aChemistry$xData processing 606 $aChemical structure 606 $aPhotochemistry 606 $aQuantum Chemistry 606 $aTheoretical Chemistry 606 $aComputational Chemistry 606 $aStructure And Bonding 606 $aPhotochemistry 615 0$aQuantum chemistry. 615 0$aChemistry, Physical and theoretical. 615 0$aChemistry$xData processing. 615 0$aChemical structure. 615 0$aPhotochemistry. 615 14$aQuantum Chemistry. 615 24$aTheoretical Chemistry. 615 24$aComputational Chemistry. 615 24$aStructure And Bonding. 615 24$aPhotochemistry. 676 $a050 700 $aJenkins$b Samantha$01372667 702 $aKirk$b Steven Robert 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910734857503321 996 $aNext Generation Quantum Theory of Atoms in Molecules$93403554 997 $aUNINA