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Computational Modeling of Homogeneous Catalysis

Posted By: AvaxGenius
Date: 28 Feb 2024 13:59:04
Computational Modeling of Homogeneous Catalysis

Computational Modeling of Homogeneous Catalysis by Feliu Maseras, Agustí Lledós
English | PDF(True) | 2002 | 373 Pages | ISBN : 140200933X | 13.2 MB

This book presents an updated account on the status of the computational modeling of homogeneous catalysis at the beginning of the 21 st century. The development of new methods and the increase of computer power have opened up enormously the reliability of the calculations in this field, and a number of research groups from around the world have seized this opportunity to expand enormously the range of applications. This text collects a good part of their work.
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Alkyne‐Based Nanostructures on Silver Substrates (Repost)

Posted By: AvaxGenius
Date: 23 Dec 2023 08:00:48
Alkyne‐Based Nanostructures on Silver Substrates (Repost)

Alkyne‐Based Nanostructures on Silver Substrates by Raphael Hellwig
English | EPUB (True) | 2018 | 132 Pages | ISBN : 3030009963 | 5.3 MB

Acetylenic precursors are important reactants for creating carbon-based architectures via linkage reactions. While their capability of forming intermolecular bonds is well investigated in solution, very few systematic studies have been carried out to create alkyne-based nanostructures on metal substrates under ultra-high vacuum conditions. Synthesizing extended and regular carbon scaffolds requires a detailed knowledge of alkyne chemistry in order to control reaction pathways and limit unwanted side reactions. Using the bottom-up approach on metal surfaces, the authors establish protocols to fabricate regular architectures built up by the on-surface formation of selective organometallic and C-C bonds with thoughtfully designed alkyne-functionalized monomers. The structural and functional properties of the resulting organometallic and covalent nanostructures are characterized by means of scanning tunneling microscopy. The results open up new perspectives in the fields of heterogeneous catalysis and the on-surface synthesis of functional interfaces under mild reaction conditions.
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Metallocorroles for Attenuation of Atherosclerosis

Posted By: AvaxGenius
Date: 24 Sep 2023 14:26:53
Metallocorroles for Attenuation of Atherosclerosis

Metallocorroles for Attenuation of Atherosclerosis by Adi Haber
English | PDF | 2012 | 101 Pages | ISBN : 3642303277 | 4.5 MB

Adi Haber's thesis summarises the use of a new entity, the corrole, to combat one of the major cardiovascular diseases, atherosclerosis. She examines the effects of three rationally designed corrole-metal complexes on some of the many variables which contribute to the development of atherosclerosis. There is a focus on both the "bad" and "good" cholesterol carriers, LDL and HDL. Adi Haber proceeds from basic findings in pure chemistry through biochemical and cell culture tests to in vivo examinations. The work in this thesis shows that corroles are highly efficient both for early and late treatment of atherosclerosis in animals. These results will pave the way for ongoing regulated preclinical studies focussed on the development of metallocorroles as potential drugs for treating cardiovascular diseases.
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Iron-Catalyzed C-H/C-H Coupling for Synthesis of Functional Small Molecules and Polymers

Posted By: AvaxGenius
Date: 26 Jul 2023 03:40:21
Iron-Catalyzed C-H/C-H Coupling for Synthesis of Functional Small Molecules and Polymers

Iron-Catalyzed C-H/C-H Coupling for Synthesis of Functional Small Molecules and Polymers by Takahiro Doba
English | PDF EPUB (True) | 2023 | 164 Pages | ISBN : 9819941202 | 29.1 MB

This thesis describes the development of iron-catalyzed thienyl C–H/C–H coupling. This is applied to the synthesis of highly conjugated and electron-rich thiophene compounds of interest in materials science by utilization of low redox potential of iron in combination with a mild oxalate oxidant.
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Copper(I)-Catalyzed Stereoselective Borylation Reactions: Multisubstituted Alkenyl and Allylic Boronates

Posted By: AvaxGenius
Date: 30 Apr 2023 10:23:52
Copper(I)-Catalyzed Stereoselective Borylation Reactions: Multisubstituted Alkenyl and Allylic Boronates

Copper(I)-Catalyzed Stereoselective Borylation Reactions: Multisubstituted Alkenyl and Allylic Boronates by Yu Ozawa
English | PDF,EPUB | 2023 | 236 Pages | ISBN : 9819910978 | 78.3 MB

This book focuses on the development of novel functionalized organoboron compounds and those synthetic methods. High degrees of chemo-, regio-, and stereoselectivities of the borylation reactions are attained through catalyst design and optimization. Furthermore, the selectivity-determining mechanisms are analyzed with state-of-the-art DFT and other computational methods.
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Computational Organometallic Chemistry (Repost)

Posted By: AvaxGenius
Date: 31 Aug 2022 20:36:57
Computational Organometallic Chemistry (Repost)

Computational Organometallic Chemistry by Olaf Wiest, Yundong Wu
English | PDF | 2012 | 262 Pages | ISBN : 3642252575 | 16.3 MB

Computational methods have become an indispensible tool for elucidating the mechanism of organometallic reactions. This snapshot of state-of-the-art computational studies provides an overview of the vast field of computational organometallic chemistry. Authors from Asia, Europe and the US have been selected to contribute a chapter on their specialist areas. Topics addressed include: DFT studies on zirconium-mediated reactions, force field methods in organometallic chemistry, hydrogenation of π-systems, oxidative functionalization of unactivated C-H bonds and olefins, the osmylation reaction, and cobalt carbonyl clusters. The breadth and depth of the contributions demonstrate not only the crucial role that computational methods play in the study of a wide range of organometallic reactions, but also attest the robust health of the field, which continues to benefit from, as well as inspire novel experimental studies.
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Metallurgy in Space: Recent Results from ISS

Posted By: AvaxGenius
Date: 31 Aug 2022 18:01:35
Metallurgy in Space: Recent Results from ISS

Metallurgy in Space: Recent Results from ISS by Hans-Jörg Fecht, Markus Mohr
English | EPUB | 2022 | 564 Pages | ISBN : 3030897834 | 89.2 MB

This book presents experimental work conducted on the International Space Station (ISS) in order to characterize metals and alloys in the liquid state. The internationally recognized authors present and discuss experiments performed in microgravity that enabled the study of the relevant volume and surface related properties free of the restrictions of a gravity-based environment. The collection serves also as a handbook of space experiments using electromagnetic levitation techniques. A summary of recent results provides an overview of the wealth of space experiment data, which will ignite further research activities and inspire academics and industrial research departments for their continuous development.
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Aromatic C-nitroso Compounds

Posted By: AvaxGenius
Date: 29 Aug 2022 11:50:49
Aromatic C-nitroso Compounds

Aromatic C-nitroso Compounds by Hrvoj Vančik
English | PDF | 2013 | 167 Pages | ISBN : 9400763360 | 2.8 MB

This volume will present the reader with an update on the scientific research on organic chemistry of nitroso compounds that was performed in the last two decades. The overview will include the original synthetic applications of nitroso compounds, but will also cover the discovery of novel physico-chemical phenomena and their potential future uses. The properties that form the basis for this technological potential originate from the intriguing property of C-nitroso molecules to form dimers through the formation of a relatively weak nitrogen-nitrogen double bond. The equilibrium between the different monomeric and dimeric forms, which appears under controlled environmental parameters, opened new areas of research in organic chemistry.
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Environmentally Benign Photocatalysts: Applications of Titanium Oxide-based Materials (Nanostructure Science and Technology)

Posted By: AvaxGenius
Date: 23 Apr 2022 06:10:25
Environmentally Benign Photocatalysts: Applications of Titanium Oxide-based Materials (Nanostructure Science and Technology)

Environmentally Benign Photocatalysts: Applications of Titanium Oxide-based Materials by Masakazu Anpo
English | PDF | 2010 | 740 Pages | ISBN : 0387484418 | 35 MB

This book focuses on the various approaches used in the design and development of highly efficient, visible light responsive titanium oxide-based photocatalysts by applying such methods as sol-gel, precipitation, dip-coating, metal ion-implantation, and magnetron sputtering deposition.
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New Directions in the Modeling of Organometallic Reactions

Posted By: roxul
Date: 7 Nov 2020 20:07:30
New Directions in the Modeling of Organometallic Reactions

Agustí Lledós and Gregori Ujaque, "New Directions in the Modeling of Organometallic Reactions"
English | ISBN: 3030569950 | 2020 | 278 pages | PDF | 13 MB
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The Privileged Pincer-Metal Platform: Coordination Chemistry & Applications

Posted By: arundhati
Date: 22 May 2020 04:12:42
The Privileged Pincer-Metal Platform: Coordination Chemistry & Applications

Gerard van Koten, "The Privileged Pincer-Metal Platform: Coordination Chemistry & Applications "
English | ISBN: 3319229265 | 2016 | 374 pages | PDF | 21 MB
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