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1

Understanding Covalent Mechanochemistry

Jordi Ribas-Arino, Motoyuki Shiga, Dominik Marx

Journal:

Angewandte Chemie

Year:

2009

Language:

english

File:

PDF, 765 KB

english, 2009

2

Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics

Ribas-Arino, Jordi, Marx, Dominik

Journal:

Chemical Reviews

Year:

2012

Language:

english

File:

PDF, 19.77 MB

english, 2012

3

Analysis of the Acting Forces in a Theory of Catalysis and Mechanochemistry

Quapp, Wolfgang, Bofill, Josep Maria, Ribas-Ariño, Jordi

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 17.75 MB

english, 2017

4

An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis

Bofill, Josep Maria, Ribas-Ariño, Jordi, García, Sergio Pablo, Quapp, Wolfgang

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 8.67 MB

english, 2017

5

The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C60

Jordi Ribas-Ariño, Juan J. Novoa

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 152 KB

english, 2004

6

Force-Transformed Free-Energy Surfaces and Trajectory-Shooting Simulations Reveal the Mechano-Stereochemistry of Cyclopropane Ring-Opening Reactions

Dr. Przemyslaw Dopieralski, Dr. Jordi Ribas-Arino, Prof. Dominik Marx

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 473 KB

english, 2011

7

The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C60

Jordi Ribas-Ariño, Juan J. Novoa

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 153 KB

english, 2004

8

Understanding Covalent Mechanochemistry

Jordi Ribas-Arino, Motoyuki Shiga, Dominik Marx

Journal:

Angewandte Chemie International Edition

Year:

2009

Language:

english

File:

PDF, 765 KB

english, 2009

9

Force-Transformed Free-Energy Surfaces and Trajectory-Shooting Simulations Reveal the Mechano-Stereochemistry of Cyclopropane Ring-Opening Reactions

Dr. Przemyslaw Dopieralski, Dr. Jordi Ribas-Arino, Prof. Dominik Marx

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 462 KB

english, 2011

10

Direct versus Mediated Through-Space Magnetic Interactions: A First Principles, Bottom-Up Reinvestigation of the Magnetism of the Pyridyl-Verdazyl:Hydroquinone Molecular Co-Crystal

Joaquim Jornet, Mercè Deumal, Jordi Ribas-Ariño, Michael J. Bearpark, Michael A. Robb, Robin G. Hicks, Juan J. Novoa

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 768 KB

english, 2006

11

Structures with Tunable Strong Ferromagnetic Coupling: from Unordered (1D) to Ordered (Discrete)

Yong-Fei Zeng, Jiong-Peng Zhao, Bo-Wen Hu, Xin Hu, Fu-Chen Liu, Joan Ribas, Jordi Ribas-Ariño, Xian-He Bu

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 453 KB

english, 2007

12

Designed Topology and Site-Selective Metal Composition in Tetranuclear [MM′⋅⋅⋅M′M] Linear Complexes

Leoní A. Barrios, David Aguilà, Olivier Roubeau, Patrick Gamez, Jordi Ribas-Ariño, Simon J. Teat, Guillem Aromí

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 460 KB

english, 2009

13

Unravelling the Mechanism of Force-Induced Ring-Opening of Benzocyclobutenes

Jordi Ribas-Arino, Motoyuki Shiga, Dominik Marx

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 425 KB

english, 2009

14

The Origin of the Magnetic Moments in Compressed Crystals of Polymeric C60.

Jordi Ribas-Arino, Juan J. Novoa

Journal:

Year:

2004

File:

PDF, 50 KB

2004

15

Study of the magnetic exchange within the cluster polymer [NaCu6(gly)8(ClO4)3(H2O)]n(ClO4)2n

Guillem Aromí, Juan J. Novoa, Jordi Ribas-Ariño, Satoshi Igarashi, Yasuhiko Yukawa

Journal:

Inorganica Chimica Acta

Year:

2008

Language:

english

File:

PDF, 829 KB

english, 2008

16

Evaluation of the capability of C60-fullerene to act as a magnetic coupling unit

Jordi Ribas-Ariño, Juan J. Novoa

Journal:

Journal of Physics and Chemistry of Solids

Year:

2004

Language:

english

File:

PDF, 368 KB

english, 2004

17

Tracing the Sources of the Different Magnetic Behavior in the Two Phases of the Bistable (BDTA) 2 [Co(mnt) 2 ] Compound

Vela, Sergi, Deumal, Mercè, Ribas-Arino, Jordi, Novoa, Juan J.

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

18

Mechanochemical Transduction of Externally Applied Forces to Mechanophores

Ribas-Arino, Jordi, Shiga, Motoyuki, Marx, Dominik

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 694 KB

english, 2010

19

Unraveling the Role of Water in the Stereoselective Step of Aqueous Proline-Catalyzed Aldol Reactions

Ribas-Arino, Jordi, Carvajal, Maria Angels, Chaumont, Alain, Masia, Marco

Journal:

Chemistry - A European Journal

Year:

2012

Language:

english

File:

PDF, 458 KB

english, 2012

20

ChemInform Abstract: Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics

Ribas-Arino, Jordi, Marx, Dominik

Journal:

Year:

2012

File:

PDF, 18 KB

2012

21

Self-Assembly of Cu II and Ni II [2 × 2] Grid Complexes and a Binuclear Cu II Complex with a New Semiflexible Substituted Pyrazine Ligand: Multiple Anion Encapsulation and Magnetic Properties

Cati, Dilovan S., Ribas, Joan, Ribas-Ariño, Jordi, Stoeckli-Evans, Helen

Journal:

Inorganic Chemistry

Year:

2004

Language:

english

File:

PDF, 408 KB

english, 2004

22

The Janus-faced role of external forces in mechanochemical disulfide bond cleavage

Dopieralski, Przemyslaw, Ribas-Arino, Jordi, Anjukandi, Padmesh, Krupicka, Martin, Kiss, Janos, Marx, Dominik

Journal:

Nature Chemistry

Year:

2013

Language:

english

File:

PDF, 2.31 MB

english, 2013

23

On the role of polymer chains in transducing external mechanical forces to benzocyclobutene mechanophores

Dopieralski, Przemyslaw, Anjukandi, Padmesh, Rückert, Matthias, Shiga, Motoyuki, Ribas–Arino, Jordi, Marx, Dominik

Journal:

Journal of Materials Chemistry

Year:

2011

Language:

english

File:

PDF, 344 KB

english, 2011

24

Two isosceles coordination [Ni3] triangles strongly interacting via hydrogen bonds

Craig, Gavin A., Roubeau, Olivier, Ribas-Ariño, Jordi, Teat, Simon J., Aromí, Guillem

Journal:

Year:

2013

Language:

english

File:

PDF, 422 KB

english, 2013

25

The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials

Vela, Sergi, Mota, Fernando, Deumal, Mercè, Suizu, Rie, Shuku, Yoshiaki, Mizuno, Asato, Awaga, Kunio, Shiga, Motoyuki, Novoa, Juan J, Ribas-Arino, Jordi

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 1.43 MB

english, 2014

26

A Heterometallic (Ni II –Cu II ) Decanuclear Cluster Containing Two Distorted Cubane-like Pentanuclear Cores: Synthesis, Structure, and Magnetic Properties

Chakraborty, Anindita, Ghosh, Barindra Kumar, Ribas-Arino, Jordi, Ribas, Joan, Maji, Tapas Kumar

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 687 KB

english, 2012

27

Assessing the Performance of CASPT2 and DFT Methods for the Description of Long, Multicenter Bonding in Dimers between Radical Ions

Capdevila-Cortada, Marçal, Ribas-Arino, Jordi, Novoa, Juan J.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 2.99 MB

english, 2014

28

Magnetostructural Dynamics from Hubbard- U Corrected Spin-Projection: [2Fe−2S] Complex in Ferredoxin

Nair, Nisanth N., Ribas-Arino, Jordi, Staemmler, Volker, Marx, Dominik

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 228 KB

english, 2010

29

Two Cu 2 and Zn 2 Metallamacrocycles Featuring a Novel Extended π-Conjugated Carbazole Bridge

Paital, Alok Ranjan, Wu, A-Qing, Guo,, Aromí, Guillem, Ribas-Ariño, Jordi, Ray, Debashis

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 106 KB

english, 2007

30

Control of Two-Electron Four-Center (2e - /4c) C−C Bond Formation Observed for Tetracyanoethenide Dimerization, [TCNE] 22-

Novoa, Juan N., Ribas-Ariño, Jordi, Shum, William W., Miller, Joel S.

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 298 KB

english, 2007

31

Preparation and Structure of Three Solvatomorphs of the Polymer [Co(dbm) 2 (4ptz)] n : Spin Canting Depending on the Supramolecular Organization

Barrios, Leoní A., Ribas, Joan, Aromí, Guillem, Ribas-Ariño, Jordi, Gamez, Patrick, Roubeau, Olivier, Teat, Simon J.

Journal:

Inorganic Chemistry

Year:

2007

Language:

english

File:

PDF, 406 KB

english, 2007

32

Linear or Cyclic Clusters of Cu(II) with a Hierarchical Relationship

Craig, Gavin A., Schütze, Mike, Aguilà, David, Roubeau, Olivier, Ribas-Ariño, Jordi, Vela, Sergi, Teat, Simon J., Aromí, Guillem

Journal:

Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 3.15 MB

english, 2014

33

Control of Two-Electron Four-Center (2e - /4c) C−C Bond Formation Observed for Tetracyanoethenide Dimerization, [TCNE] 22-

Novoa, Juan N., Ribas-Ariño, Jordi, Shum, William W., Miller, Joel S.

Journal:

Inorganic Chemistry

Year:

2007

File:

PDF, 10 KB

2007

34

Revealing the Magnetostructural Dynamics of [2Fe-2S] Ferredoxins from Reduced-Dimensionality Analysis of Antiferromagnetic Exchange Coupling Fluctuations

Fiethen, S. Annamaria, Staemmler, Volker, Nair, Nisanth N., Ribas-Arino, Jordi, Schreiner, Eduard, Marx, Dominik

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 785 KB

english, 2010

35

Self-Assembly of an Azido-Bridged [Ni II6 ] Cluster Featuring Four Fused Defective Cubanes

Mandal, Debashree, Bertolasi, Valerio, Ribas-Ariño, Jordi, Aromí, Guillem, Ray, Debashis

Journal:

Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 418 KB

english, 2008

36

Toward the Control of the Magnetic Anisotropy of Fe II Cubes: A DFT Study

Ribas-Arino, Jordi, Baruah, Tunna, Pederson, Mark R.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 267 KB

english, 2006

37

Broken Inter-C 60 Bonds as the Cause of Magnetism in Polymeric C 60 : A Density Functional Study Using C 60 Dimers

Ribas-Ariño, Jordi, Curioni, Alessandro, Andreoni, Wanda, Novoa, Juan J.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 149 KB

english, 2005

38

Structural and Magnetic Properties of a Complete Halide Series of Ni II Complexes with a Pyridine-Containing 14-Membered Macrocycle

Tamayo, Abel, Escriche, Lluis, Lodeiro, Carlos, Ribas-Ariño, Jordi, Ribas, Joan, Covelo, Berta, Casabó, Jaume

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 153 KB

english, 2006

39

The mechanism for the reversible oxygen addition to heme. A theoretical CASPT2 study

Ribas-Ariño, Jordi, Novoa, Juan J.

Journal:

Chemical Communications

Year:

2007

Language:

english

File:

PDF, 248 KB

english, 2007

40

Substituted m-phenylene bridges as strong ferromagnetic couplers for Cuii–bridge–Cuii magnetic interactions: new perspectives

Paital, Alok Ranjan, Mitra, Tamoghna, Ray, Debashis, Wong, Wing Tak, Ribas-Ariño, Jordi, Novoa, Juan J., Ribas, Joan, Aromí, Guillem

Journal:

Chemical Communications

Year:

2005

Language:

english

File:

PDF, 328 KB

english, 2005

41

Strong through-space two-halide magnetic exchange of −234 K in (2,5-dimethylpyrazine)copper(ii) bromide

Butcher, Robert T., Novoa, Juan J., Ribas-Ariño, Jordi, Sandvik, Anders W., Turnbull, Mark M., Landee, Christopher P., Wells, Brian M., Awwadi, Firas F.

Journal:

Chemical Communications

Year:

2009

Language:

english

File:

PDF, 568 KB

english, 2009

42

Insights into the crystal-packing effects on the spin crossover of [Fe II (1-bpp)] 2+ -based materials

Vela, Sergi, Novoa, Juan J., Ribas-Arino, Jordi

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.33 MB

english, 2014

43

Structural and Magnetic Diversity Based on Different Imidazolate Linkers in Cu(II)-Azido Coordination Compounds

Chakraborty, Anindita, Lingampalli, Srinivasa Rao, Kumari, Aman, Ribas, Joan, Ribas-Arino, Jordi, Maji, Tapas Kumar

Journal:

Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 5.66 MB

english, 2014

44

Density-functional study of two Fe[sub 4]-based single-molecule magnets

Ribas-Arino, Jordi, Baruah, Tunna, Pederson, Mark R.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 443 KB

english, 2005

45

On the Importance of Thermal Effects and Crystalline Disorder in the Magnetism of Benzotriazinyl-Derived Organic Radicals

Fumanal, Maria, Vela, Sergi, Ribas-Ariño, Jordi, Novoa, Juan J.

Journal:

Chemistry – An Asian Journal

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

46

S =1/2 One-Dimensional Random-Exchange Ferromagnetic Zigzag Ladder, Which Exhibits Competing Interactions in a Critical Regime

Herringer, Susan N., Deumal, Mercè, Ribas-Arino, Jordi, Novoa, Juan J., Landee, Christopher P., Wikaira, Jan L., Turnbull, Mark M.

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 1.09 MB

english, 2014

47

cage vacancies: A density-functional study

Ribas-Ariño, Jordi, Novoa, Juan J.

Journal:

Physical Review B

Year:

2006

Language:

english

File:

PDF, 403 KB

english, 2006

48

Elucidating the 2D Magnetic Topology of the ‘Metal-Radical’ TTTA⋅Cu(hfac) 2 System

Vela, Sergi, Sopena, Arturo, Ribas-Arino, Jordi, Novoa, Juan J., Deumal, Mercè

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 1.00 MB

english, 2014

49

Electronic Excitation Energies in Dimers between Radical Ions Presenting Long, Multicenter Bonding

Fumanal, Maria, Capdevila-Cortada, Marçal, Ribas-Arino, Jordi, Novoa, Juan J.

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.08 MB

english, 2015

50

Towards an accurate and computationally-efficient modelling of Fe( ii )-based spin crossover materials

Vela, Sergi, Fumanal, Maria, Ribas-Arino, Jordi, Robert, Vincent

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.87 MB

english, 2015

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