Autore	Sala Matthieu
Edizione	[1st ed. 2016.]
Pubbl/distr/stampa	Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016
Descrizione fisica	1 online resource (198 p.)
Disciplina	541.35
Collana	Springer Theses, Recognizing Outstanding Ph.D. Research
Soggetto topico	Chemistry, Physical and theoretical Quantum physics Chemometrics Atoms Physics Chemoinformatics Theoretical and Computational Chemistry Quantum Physics Math. Applications in Chemistry Atoms and Molecules in Strong Fields, Laser Matter Interaction Computer Applications in Chemistry
ISBN	3-319-28979-9
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Part I General introduction: Introduction -- Part II Theoretical studies in photophysics and photochemistry: applications to aniline and pyrazine: Basic concepts and methodology -- Exploration of the potential energy landscape of aniline using CASSCF and XMCQDPT2 electronic structure calculations -- Theory of nuclear quantum dynamics simulations -- The role of the low-lying nπ∗ states on the photophysics of pyrazine.- Part III Laser control of unimolecular processes: Theoretical tools for the description of strong field laser-molecule interaction -- Laser control of the radiationless decay in pyrazine using the dynamic Stark effect -- Laser driven tunneling dynamics in NHD2.- Part IV Conclusion: Conclusion.- Appendices: A Basis sets for electronic structure calculations -- B Appendices for laser control of the radiationless decay in pyrazine using the dynamic Stark effect -- C Appendices for enhancement of tunneling in NHD2 -- D Appendices for the coherent destruction of tunneling in NHD2.
Record Nr.	UNINA-9910254035603321

Pubbl/distr/stampa	Cambridge, : Royal Society of Chemistry, c1998
Descrizione fisica	1 online resource (510 p.)
Disciplina	541.3/5 541.35
Altri autori (Persone)	GilbertA
Collana	A specialist periodical report: Photochemistry
Soggetto topico	Photochemistry Chemistry, Physical and theoretical
Soggetto genere / forma	Electronic books.
ISBN	1-84755-478-4
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	PH9780854044153-FX001; PH9780854044153-FP001; PH9780854044153-FP005; PH9780854044153-00001; PH9780854044153-00015; PH9780854044153-00017; PH9780854044153-00069; PH9780854044153-00071; PH9780854044153-00095; PH9780854044153-00135; PH9780854044153-00164; PH9780854044153-00204; PH9780854044153-00239; PH9780854044153-00316; PH9780854044153-00351; PH9780854044153-00353; PH9780854044153-00411; PH9780854044153-00413; PH9780854044153-00423; PH9780854044153-00425; PH9780854044153-00453
Record Nr.	UNINA-9910450638803321

Pubbl/distr/stampa	Weinheim ; ; Chichester, : Wiley-VCH, c2000
Descrizione fisica	1 online resource (432 p.)
Disciplina	541.35 547.2
Altri autori (Persone)	StangP. J DiederichFrançois
Soggetto topico	Organic compounds - Synthesis Physical organic chemistry
Soggetto genere / forma	Electronic books.
ISBN	1-281-76417-5 9786611764173 3-527-61352-8 3-527-61353-6
Formato	Materiale a stampa
Livello bibliografico	Monografia
Lingua di pubblicazione	eng
Nota di contenuto	Templated Organic Synthesis; Contents; 1 Templates in Organic Synthesis: Definitions and Roles; 1.1 Introduction - Early Templates; 1.2 The Definition of a Molecular Template; 1.3 Roles of Templates; 1.3.1 Thermodynamic and Kinetic Templates; 1.3.2 Covalent and Non-covalent Template-Substrate Interactions; 1.3.3 Topology of Reaction; 1.3.3.1 Cyclization templates; 1.3.3.2 Linear templates; 1.3.3.3 Interweaving templates; 1.3.4 Scavenger Templates; 1.3.5 Negative Templates; 1.4 Measuring Template Effects; 1.4.1 Qualitative Detection of Template Effects 1.4.2 Quantification of Kinetic Template Effects in Terms of Effective Molarity, Substrate Affinity, and Maximum Rate Enhancement1.4.2.1 Linear templates; 1.4.2.2 Quantitative analysis of template effects in tethered reactions; 1.4.2.3 Cyclization templates; 1.5 Conclusion; Appendix 1a: Equations for Figure 1-5; Appendix 1b: Equations for Figure 1-10; References; 2 Templated Synthesis of Polymers - Molecularly Imprinted Materials for Recognition and Catalysis; 2.1 Introduction; 2.2 Preparation of Optically Active Linear Vinyl Polymers by Templated Synthesis 2.3 Exact Placement of Functional Groups on the Surfaces of Rigid Polymeric Materials Using Template Molecules2.4 Molecular Imprinting in Polymeric Materials Using Template Molecules; 2.4.1 The Principle; 2.4.2 The Optimization of the Structure of the Polymer Network; 2.4.3 The Role of the Binding-site Interactions; 2.4.4 Chiroptical Properties of the Crosslinked Polymers; 2.4.5 Chromatography Using Molecularly Imprinted Polymers; 2.4.6 Catalysis With Molecularly Imprinted Polymers; 2.4.7 Outlook; 2.5 Experimental Procedures; 2.5.1 Polymer from Scheme 2-5 2.5.1.1 Preparation of template monomer 7 [34]2.5.1.2 Preparation of the polymer [35]; 2.5.2 Polymer from Scheme 2-6; 2.5.2.1 Thermally initiated polymerization [36]; 2.5.2.2 Photochemically initiated polymerization [50]; 2.5.3 Polymer from Scheme 2-9 [136, 137]; 2.5.3.1 N-Ethyl-4-vinylbenzamide; 2.5.3.2 N-Ethyl-4-vinylbenzocarboximide acid ethyl ester; 2.5.3.3 N,N'-Diethyl-4-vinylbenzamidine (10a); 2.5.4 Preparation of the polymer [112]; References; 3 Templated Synthesis of Catenanes and Rotaxanes; 3.1 Introduction; 3.2 Metal-Templated Syntheses; 3.3 Hydrogen Bonding-assisted Syntheses 3.4 Hydrophobically Driven Syntheses3.5 Aromatic Templates; 3.6 Dialkylammonium-containing Rotaxanes; 3.7 Conclusions; 3.8 Experimental Procedures; 3.8.1 [2]Catenane 4 [13]; 3.8.2 [2]Catenane 12 [16]; 3.8.3 [2]Catenane 43 [31]; 3.8.4 [2]Rotaxane 51 [38]; 3.8.5 [2]Rotaxane 56 [381; 3.8.6 [2]Rotaxane 68 [45]; References; 4 Templated Synthesis of Carceplexes, Hemicarceplexes, and Capsules; 4.1 Introduction; 4.2 Carceplexes; 4.2.1 The First Soluble Carceplex; 4.2.1.1 Template ratios in the formation of an acetal-bridged carceplex; 4.2.1.2 Formation of a charged hydrogen bonded complex 4.2.1.3 Mechanism of formation for an acetal-bridged carceplex
Record Nr.	UNINA-9910144282803321