Llunell, Miquel: search on Z-Library

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1

Cutaneous ulceration in an infant

Garbayo Salmons, Patricia, Casals Andreu, Miquel, Casulleras González, Albert, López LLunell, Cristina, Luelmo Aguilar, Jesús

Journal:

Pediatric Dermatology

Year:

2019

File:

PDF, 662 KB

2019

2

Electronic Structure, Bonding, and Electrical Properties of MoNiP 8†

Llunell, Miquel, Alvarez, Santiago, Alemany, Pere, Hoffmann, Roald

Journal:

Inorganic Chemistry

Year:

1996

Language:

english

File:

PDF, 693 KB

english, 1996

3

Electronic structure and bonding in skutterudite-type phosphides

Llunell, Miquel, Alemany, Pere, Alvarez, Santiago, Zhukov, Vladlen P., Vernes, Andreas

Journal:

Physical Review B

Year:

1996

Language:

english

File:

PDF, 118 KB

english, 1996

4

Continuous chirality analysis of hexacoordinated tris-chelated metal complexes

Santiago Alvarez, Mark Pinsky, Miquel Llunell, David Avnir

Journal:

Crystal Engineering

Year:

2001

Language:

english

File:

PDF, 274 KB

english, 2001

5

Color and Conductivity in Cu 2 O and CuAlO 2 : A Theoretical Analysis of d 10 ···d 10 Interactions in Solid-State Compounds

Buljan, Antonio, Llunell, Miquel, Ruiz, Eliseo, Alemany, Pere

Journal:

Chemistry of Materials

Year:

2001

Language:

english

File:

PDF, 118 KB

english, 2001

6

Using the Continuous Shape and Symmetry Measures to Correlate Atomic Structure and Chemical Properties

Llunell, Miquel

Journal:

Proceedings (American Bar Association. Section of International and Comparative Law)

Year:

2018

Language:

english

File:

PDF, 109 KB

english, 2018

7

Conformational Analysis of Molecular Machines: Internal Rotation and Enantiomerization in Triptycyl[3]helicene

Miquel Llunell, Pere Alemany, Josep Maria Bofill

Journal:

Year:

2008

Language:

english

File:

PDF, 455 KB

english, 2008

8

Magnetic Properties of Cyano-Bridged Ln 3+ −M 3+ Complexes. Part I: Trinuclear Complexes (Ln 3+ = La, Ce, Pr, Nd, Sm; M 3+ = Fe LS , Co) with bpy as Blocking Ligand

Figuerola, Albert, Ribas, Joan, Llunell, Miquel, Casanova, David, Maestro, Miguel, Alvarez, Santiago, Diaz, Carmen

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 377 KB

english, 2005

9

Electronic structure characterization of six semiconductors through their localized Wannier functions

Bert, Alberto, Llunell, Miquel, Dovesi, Roberto, Zicovich-Wilson, Claudio M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 252 KB

english, 2003

10

Roles of cations, electronegativity difference, and anionic interlayer interactions in the metallic versus nonmetallic character of Zintl phases related to arsenic

Pere Alemany, Miquel Llunell, Enric Canadell

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 508 KB

english, 2008

11

Quantitative vs. qualitative approaches to the electronic structure of solids

Josep M. Oliva, Miquel Llunell, Pere Alemany, Enric Canadell

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 455 KB

english, 2003

12

Continuous symmetry maps and shape classification. The case of six-coordinated metal compoundsElectronic supplementary information (ESI) available: tables of CSD refcodes, structural parameters and symmetry measures for the studied compounds. See http://www.rsc.org/suppdata/nj/b2/b202096n/

Alvarez, Santiago, Avnir, David, Llunell, Miquel, Pinsky, Mark

Journal:

New Journal of Chemistry

Year:

2002

Language:

english

File:

PDF, 361 KB

english, 2002

13

Structural, electronic and elastic properties of some fluoride crystals: an ab initio study

Mohammadou Mérawa, Miquel Llunell, Roberto Orlando, Michel Gelize-Duvignau, Roberto Dovesi

Journal:

Chemical Physics Letters

Year:

2003

Language:

english

File:

PDF, 86 KB

english, 2003

14

Theoretical evidence for the direct 3 MLCT-HS deactivation in the light-induced spin crossover of Fe( ii )–polypyridyl complexes

Sousa, Carmen, Llunell, Miquel, Domingo, Alex, de Graaf, Coen

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.37 MB

english, 2018

15

The Rich Stereochemistry of Eight-Vertex Polyhedra: A Continuous Shape Measures Study

David Casanova, Miquel Llunell, Pere Alemany, Santiago Alvarez

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 344 KB

english, 2005

16

Electronic Structure of Li 2 Ga and Li 9 Al 4 , Two Solids Containing Infinite and Uniform Zigzag Chains

Alemany, Pere, Llunell, Miquel, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 143 KB

english, 2005

17

Uniform linear chains of group 11 atoms: do they have a bias towards a Peierls distortion?

Pere Alemany, Miquel Llunell, Enric Canadell

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2009

Language:

english

File:

PDF, 264 KB

english, 2009

18

Host−Guest Interactions, Uniform vs Fragmented Linear Atom Chains and Likeliness of Peierls Distortions in the (Ca 7 N 4 )[M x ] (M = Ag, Ga, In) Phases #

Alemany, Pere, Llunell, Miquel, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 2.22 MB

english, 2009

19

Skutterudite vs. ReO3 structures for MX3 solids: electronic requirements ‡

Llunell, Miquel, Alvarez, Santiago, Alemany, Pere

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

1998

Language:

english

File:

PDF, 139 KB

english, 1998

20

Continuous symmetry measures of penta-coordinate molecules: Berry and non-Berry distortions of the trigonal bipyramid †

Alvarez, Santiago, Llunell, Miquel

Journal:

Journal of the Chemical Society Dalton Transactions

Year:

2000

Language:

english

File:

PDF, 332 KB

english, 2000

21

and

Rodríguez-Fortea, Antonio, Llunell, Miquel, Alemany, Pere, Canadell, Enric

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 423 KB

english, 2010

22

Molecules and crystals with both icosahedral and cubic symmetry

Echeverría, Jorge, Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago

Journal:

Chemical Communications

Year:

2008

Language:

english

File:

PDF, 1.46 MB

english, 2008

23

Electronic Structure of the K 3 Bi 2 Metallic Phase

Alemany, Pere, Llunell, Miquel, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2005

Language:

english

File:

PDF, 76 KB

english, 2005

24

Factors affecting the magnetic coupling in Sr2V3O9 type oxides: As for V substitution in the VO4 tetrahedra and nature of the cation

Rodríguez-Fortea, Antonio, Llunell, Miquel, Alemany, Pere, Canadell, Enric

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 655 KB

english, 2013

25

Electronic Structure and Magnetic Properties of Potassium Ozonide KO 3

Llunell, Miquel, Alemany, Pere, Moreira, Ibério de P. R.

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 3.08 MB

english, 2009

26

ChemInform Abstract: Electronic Structure and Spin Exchange Interactions in Na2V3O7: A Vanadium(IV) Oxide Nanotubular Phase

Antonio Rodriguez-Fortea, Miquel Llunell, Pere Alemany, Enric Canadell

Journal:

Year:

2009

File:

PDF, 12 KB

2009

27

Effects of temperature on the shape and symmetry of molecules and solids

Carreras, Abel, Bernuz, Efrem, Marugan, Xavier, Llunell, Miquel, Alemany, Pere

Journal:

Chemistry - A European Journal

Year:

2018

Language:

english

File:

PDF, 1.29 MB

english, 2018

28

Minimal Distortion Pathways in Polyhedral Rearrangements

Casanova, David, Cirera, Jordi, Llunell, Miquel, Alemany, Pere, Avnir, David, Alvarez, Santiago

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 170 KB

english, 2004

29

Theoretical Determination of Multiple Exchange Couplings and Magnetic Susceptibility Data in Inorganic Solids: The Prototypical Case of Cu 2 (OH) 3 NO 3

Ruiz, Eliseo, Llunell, Miquel, Cano, Joan, Rabu, Pierre, Drillon, Marc, Massobrio, Carlo

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 256 KB

english, 2006

30

ChemInform Abstract: Electronic Structure and Magnetic Properties of Potassium Ozonide KO3.

Miquel Llunell, Pere Alemany, Iberio de P. R. Moreira

Journal:

Year:

2009

File:

PDF, 16 KB

2009

31

Electron Structure of the K3Bi2 Metallic Phase

Pere Alemany, Miquel Llunell, Enric Canadell

Journal:

Year:

2005

File:

PDF, 8 KB

2005

32

Shape maps and polyhedral interconversion paths in transition metal chemistry

Santiago Alvarez, Pere Alemany, David Casanova, Jordi Cirera, Miquel Llunell, David Avnir

Journal:

Coordination Chemistry Reviews

Year:

2005

Language:

english

File:

PDF, 575 KB

english, 2005

33

Distortions in Octahedrally Coordinated d 0 Transition Metal Oxides: A Continuous Symmetry Measures Approach

Ok, Kang Min, Halasyamani, P. Shiv, Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago

Journal:

Chemistry of Materials

Year:

2006

Language:

english

File:

PDF, 295 KB

english, 2006

34

Structural Stability of Quaternary ACuFeS 2 (A = Li, K) Phases: A Computational Approach

Conejeros, Sergio, Alemany, Pere, Llunell, Miquel, Sánchez, Víctor, Llanos, Jaime, Padilla-Campos, Luis

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

35

Performance of various Hamiltonians in the study of the piezoelectric properties of crystalline compounds: The case of BeO and ZnO

Noel, Yves, Llunell, Miquel, Orlando, Roberto, D’Arco, Philippe, Dovesi, Roberto

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 84 KB

english, 2002

36

ChemInform Abstract: Color and Conductivity in Cu2O and CuAlO2: A Theoretical Analysis of d10×××d10 Interactions in Solid-State Compounds

Antonio Buljan, Miquel Llunell, Eliseo Ruiz, Pere Alemany

Journal:

Year:

2001

File:

PDF, 28 KB

2001

37

Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets

Eliseo Ruiz, Miquel Llunell, Pere Alemany

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 384 KB

english, 2003

38

Electronic Structure and Spin Exchange Interactions in Na 2 V 3 O 7 : a Vanadium(IV) Oxide Nanotubular Phase

Rodríguez-Fortea, Antonio, Llunell, Miquel, Alemany, Pere, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2009

Language:

english

File:

PDF, 3.45 MB

english, 2009

39

Electronic Structure and Magnetic Properties of CuFeS 2

Conejeros, Sergio, Alemany, Pere, Llunell, Miquel, Moreira, Ibério de P. R., Sánchez, Vı́ctor, Llanos, Jaime

Journal:

Inorganic Chemistry

Year:

2015

Language:

english

File:

PDF, 3.87 MB

english, 2015

40

Reply to Comment on “Distortions in Octahedrally Coordinated d 0 Transition Metal Oxides: A Continuous Symmetry Measures Approach”

Ok, Kang Min, Halasyamani, P. Shiv, Casanova, David, Llunell, Miquel, Alemany, Pere, Alvarez, Santiago

Journal:

Chemistry of Materials

Year:

2007

Language:

english

File:

PDF, 12 KB

english, 2007

41

Crystal Structure and Coexistence of Localized and Delocalized Electrons in Nb12O29

Miquel Llunell, Pere Alemany, Enric Canadell

Journal:

Journal of Solid State Chemistry

Year:

2000

Language:

english

File:

PDF, 127 KB

english, 2000

42

Narcissistic reaction pathways: an example of Maxwell’s theorem of geometrical optics applied to the intrinsic reaction coordinate model

Miquel Llunell, Pere Alemany, Josep Maria Bofill

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 728 KB

english, 2008

43

Electronic Structure of Li2Ga and Li9Al4 Two Solids Containing Infinite and Uniform Zigzag Chains.

Pere Alemany, Miquel Llunell, Enric Canadell

Journal:

Year:

2005

File:

PDF, 9 KB

2005

44

Concerning the Different Roles of Cations in Metallic Zintl Phases: Ba 7 Ga 4 Sb 9 as a Test Case

Alemany, Pere, Llunell, Miquel, Canadell, Enric

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 262 KB

english, 2006

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