Literature DB >> 23247168

Spin states: discussion of an open problem.

Miquel Costas, Jeremy N Harvey.   

Abstract

Entities:  

Year:  2013        PMID： 23247168     DOI： 10.1038/nchem.1533

Source DB:  PubMed          Journal:  Nat Chem        ISSN： 1755-4330            Impact factor:   24.427


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  10 in total

1.  Two-state reactivity as a new concept in organometallic chemistry.

Authors:  D Schröder; S Shaik; H Schwarz
Journal:  Acc Chem Res       Date:  2000-03       Impact factor: 22.384

2.  An in silico design tool for Fe(II) spin crossover and light-induced excited spin state-trapped complexes.

Authors:  Robert J Deeth; Anna E Anastasi; Martin J Wilcockson
Journal:  J Am Chem Soc       Date:  2010-05-26       Impact factor: 15.419

3.  Understanding the kinetics of spin-forbidden chemical reactions.

Authors:  Jeremy N Harvey
Journal:  Phys Chem Chem Phys       Date:  2006-11-20       Impact factor: 3.676

4.  Accurate modeling of spin-state energetics in spin-crossover systems with modern density functional theory.

Authors:  Shengfa Ye; Frank Neese
Journal:  Inorg Chem       Date:  2010-02-01       Impact factor: 5.165

5.  NMR and DFT investigation of heme ruffling: functional implications for cytochrome c.

Authors:  Matthew D Liptak; Xin Wen; Kara L Bren
Journal:  J Am Chem Soc       Date:  2010-07-21       Impact factor: 15.419

6.  Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state.

Authors:  Shengfa Ye; Frank Neese
Journal:  Proc Natl Acad Sci U S A       Date:  2011-01-10       Impact factor: 11.205

7.  Million-fold activation of the [Fe(2)(micro-O)(2)] diamond core for C-H bond cleavage.

Authors:  Genqiang Xue; Raymond De Hont; Eckard Münck; Lawrence Que
Journal:  Nat Chem       Date:  2010-03-21       Impact factor: 24.427

8.  Structures and energetics for O2 formation in photosystem II.

Authors:  Per E M Siegbahn
Journal:  Acc Chem Res       Date:  2009-12-21       Impact factor: 22.384

9.  Lewis acid trapping of an elusive copper-tosylnitrene intermediate using scandium triflate.

Authors:  Subrata Kundu; Enrico Miceli; Erik Farquhar; Florian Felix Pfaff; Uwe Kuhlmann; Peter Hildebrandt; Beatrice Braun; Claudio Greco; Kallol Ray
Journal:  J Am Chem Soc       Date:  2012-08-31       Impact factor: 15.419

10.  Accurate ab Initio Spin Densities.

Authors:  Katharina Boguslawski; Konrad H Marti; Ors Legeza; Markus Reiher
Journal:  J Chem Theory Comput       Date:  2012-04-26       Impact factor: 6.006
  10 in total
  8 in total

1.  Do Spin State and Spin Density Affect Hydrogen Atom Transfer Reactivity?

Authors:  Caroline T Saouma; James M Mayer
Journal:  Chem Sci       Date:  2014-01-01       Impact factor: 9.825

2.  Metal-Assisted Oxo Atom Addition to an Fe(III) Thiolate.

Authors:  Gloria Villar-Acevedo; Priscilla Lugo-Mas; Maike N Blakely; Julian A Rees; Abbie S Ganas; Erin M Hanada; Werner Kaminsky; Julie A Kovacs
Journal:  J Am Chem Soc       Date:  2016-12-29       Impact factor: 15.419

3.  Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics.

Authors:  Maria Drosou; Christiana A Mitsopoulou; Dimitrios A Pantazis
Journal:  J Chem Theory Comput       Date:  2022-05-18       Impact factor: 6.578

4.  FCIQMC-Tailored Distinguishable Cluster Approach: Open-Shell Systems.

Authors:  Eugenio Vitale; Giovanni Li Manni; Ali Alavi; Daniel Kats
Journal:  J Chem Theory Comput       Date:  2022-05-06       Impact factor: 6.578

5.  Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

Authors:  Leon Freitag; Stefan Knecht; Celestino Angeli; Markus Reiher
Journal:  J Chem Theory Comput       Date:  2017-02-02       Impact factor: 6.006

Review 6.  Thermally activated delayed fluorescence in luminescent cationic copper(i) complexes.

Authors:  Christian Sandoval-Pauker; Mireya Santander-Nelli; Paulina Dreyse
Journal:  RSC Adv       Date:  2022-04-06       Impact factor: 3.361

7.  Determinant Role of Electrogenerated Reactive Nucleophilic Species on Selectivity during Reduction of CO2 Catalyzed by Metalloporphyrins.

Authors:  Adrien J Göttle; Marc T M Koper
Journal:  J Am Chem Soc       Date:  2018-03-28       Impact factor: 15.419

8.  Detailed Pair Natural Orbital-Based Coupled Cluster Studies of Spin Crossover Energetics.

Authors:  Benedikt M Flöser; Yang Guo; Christoph Riplinger; Felix Tuczek; Frank Neese
Journal:  J Chem Theory Comput       Date:  2020-04-01       Impact factor: 6.006
  8 in total

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