Chem. Soc. Rev.

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Current advances in lanthanide ion (Ln3+)-based upconversion nanomaterials for drug delivery

29 July, 2014 - 11:17

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00155A, Review ArticleDongmei Yang, Ping'an Ma, Zhiyou Hou, Ziyong Cheng, Chunxia Li, Jun Lin
This review mainly focuses on the recent advances in various chemical syntheses of Ln3+-based upconversion nanomaterials, with special emphasis on their application in stimuli-response controlled drug release and subsequent therapy.
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Calix[4]pyrroles: versatile molecular containers with ion transport, recognition, and molecular switching functions

29 July, 2014 - 11:17

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00157E, Review ArticleDong Sub Kim, Jonathan L. Sessler
Calix[4]pyrroles function as "molecular containers" as illustrated by their ability to act as carriers for the through-membrane transport of ions and as "monomers" in the construction of aggregated supramolecular constructs.
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A review of mineral carbonation technologies to sequester CO2

29 July, 2014 - 11:17

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00035H, Review ArticleOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.A. Sanna, M. Uibu, G. Caramanna, R. Kuusik, M. M. Maroto-Valer
Mineral carbonation is a promising and at the same time challenging option for the sequestration of anthropogenic CO2.
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Optical characterization of single plasmonic nanoparticles

27 July, 2014 - 10:54

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00131A, Tutorial ReviewJana Olson, Sergio Dominguez-Medina, Anneli Hoggard, Lin-Yung Wang, Wei-Shun Chang, Stephan Link
This review surveys the optical properties of plasmonic nanoparticles, and describes techniques used in the optical measurements of single nanoparticles.
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Anion sensing by small molecules and molecular ensembles

27 July, 2014 - 10:54

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00179F, Tutorial ReviewPhilip A. Gale, Claudia Caltagirone
This Tutorial Review provides a short survey of anion sensing by small molecule anion receptors, molecular ensembles and chemodosimeters.
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Upconversion nanoparticles as versatile light nanotransducers for photoactivation applications

25 July, 2014 - 10:17

Chem. Soc. Rev., 2014, Advance Article
DOI: 10.1039/C4CS00158C, Review ArticleNiagara Muhammad Idris, Muthu Kumara Gnanasammandhan Jayakumar, Akshaya Bansal, Yong Zhang
Upconversion nanoparticles enable use of near infrared light for spatially and temporally controlled activation of therapeutic compounds in deeper tissues.
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Gas-phase chemistry of molecular containers

21 July, 2014 - 09:17

Chem. Soc. Rev., 2015, Advance Article
DOI: 10.1039/C4CS00167B, Review ArticleZhenhui Qi, Thomas Heinrich, Suresh Moorthy, Christoph A. Schalley
The use of mass spectrometry for the investigation of supramolecular capsules and containers in solution and the gas-phase is reviewed.
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Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4922-4939
DOI: 10.1039/C3CS60421G, Tutorial ReviewFrancesc Vines, Jose R. B. Gomes, Francesc Illas
Metallic nanoparticles (NPs) constitute a new class of chemical objects which are used in different fields as diverse as plasmonics, optics, catalysis, or biochemistry.
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Foreword: Applied computational chemistry

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4905-4905
DOI: 10.1039/C4CS90049A, EditorialK. N. Houk
A foreword from Professor Kendall N. Houk for the Applied Computational Chemistry themed issue of Chemical Society Reviews.
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Applied computational chemistry

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4906-4908
DOI: 10.1039/C4CS90040E, EditorialIsrael Fernandez, Fernando P. Cossio
Guest editors Israel Fernandez and Fernando Cossio introduce this themed issue of Chemical Society Reviews on the topic of applied computational chemistry in honour of the 2013 Nobel Prize in Chemistry.
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New bonding modes of carbon and heavier group 14 atoms Si-Pb

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5106-5139
DOI: 10.1039/C4CS00073K, Review ArticleGernot Frenking, Ralf Tonner, Susanne Klein, Nozomi Takagi, Takayazu Shimizu, Andreas Krapp, Krishna K. Pandey, Pattiyil Parameswaran
Molecules which possess chemical bonds where a bare group-14 atom C-Pb is bonded to [sigma]-donor ligands L or to a transition metal fragment [TM] through donor-acceptor interactions are discussed together with an analysis of the bonding situation with modern quantum chemical methods.
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The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5089-5105
DOI: 10.1039/C4CS00040D, Review ArticleMarc Garcia-Borras, Silvia Osuna, Josep M. Luis, Marcel Swart, Miquel Sola
The molecular structure and chemical reactivity of endohedral metallofullerenes can be greatly predicted and rationalized by their local and global aromaticity.
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Quantum-chemical insights into mixed-valence systems: within and beyond the Robin-Day scheme

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5067-5088
DOI: 10.1039/C3CS60481K, Review ArticleOpen Access Open Access Creative Commons Licence&nbsp This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.M. Parthey, M. Kaupp
The application of quantum-chemical methods to both organic and transition-metal mixed-valence systems is reviewed, with particular emphasis on how to describe correctly delocalisation vs. localisation near the borderline between Robin-Day classes II and III.
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A tutorial for understanding chemical reactivity through the valence bond approach

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4968-4988
DOI: 10.1039/C4CS00043A, Tutorial ReviewDandamudi Usharani, Wenzhen Lai, Chunsen Li, Hui Chen, David Danovich, Sason Shaik
This tutorial teaches the interested how to comprehend and predict reactivity patterns in a variety of reaction types.
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A theoretical view of protein dynamics

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5051-5066
DOI: 10.1039/C3CS60474H, Review ArticleModesto Orozco
Moving from a traditional static picture of proteins to an alternative dynamic paradigm is one of the biggest challenges of structural biology, and the point where modeling can contribute the most. I review here the current state of the art in theoretical methods for dynamic representation of proteins.
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How cyclobutanes are assembled in nature - insights from quantum chemistry

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5042-5050
DOI: 10.1039/C3CS60452G, Review ArticleYoung J. Hong, Dean J. Tantillo
Theoretical work on the biosynthetic production of complex, cyclobutane-containing natural products is described.
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The activation strain model and molecular orbital theory: understanding and designing chemical reactions

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4953-4967
DOI: 10.1039/C4CS00055B, Tutorial ReviewIsrael Fernandez, F. Matthias Bickelhaupt
In this Tutorial Review, we make the point that a true understanding of trends in reactivity (as opposed to measuring or simply computing them) requires a causal reactivity model.
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Chemical applications carried out by local pair natural orbital based coupled-cluster methods

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,5032-5041
DOI: 10.1039/C4CS00050A, Review ArticleManuel Sparta, Frank Neese
Local pair natural orbital coupled-cluster methods are suitable for accurate assessment of the energies of large molecular and supramolecular systems.
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Challenges in modelling homogeneous catalysis: new answers from ab initio molecular dynamics to the controversy over the Wacker process

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4940-4952
DOI: 10.1039/C3CS60469A, Tutorial ReviewAndras Stirling, Nisanth N. Nair, Agusti Lledos, Gregori Ujaque
The controversial reaction mechanism considering experimental results and theoretical treatment from static to ab initio molecular dynamic simulations is reviewed.
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Aromaticity in transition structures

21 July, 2014 - 09:17

Chem. Soc. Rev., 2014, 43,4909-4921
DOI: 10.1039/C4CS00012A, Tutorial ReviewPaul von Rague Schleyer, Judy I. Wu, Fernando P. Cossio, Israel Fernandez
This tutorial review presents interpretative computational tools to describe and quantify the different manifestations of aromaticity in transition structures.
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