Max Lawson Daku : rechercher sur Z-Library

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Articles (54)
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1

Spin-crossover in cobalt(II) imine complexes

Itana Krivokapic, Mohamed Zerara, Max Lawson Daku, Alfredo Vargas, Cristian Enachescu, Christina Ambrus, Philip Tregenna-Piggott, Nahid Amstutz, Elmars Krausz, Andreas Hauser

Journal:

Coordination Chemistry Reviews

Année:

2007

Langue:

english

Fichier:

PDF, 676 KB

english, 2007

2

Photoinduced Symmetry-Breaking Charge Separation: The Direction of the Charge Transfer

Vesna Markovic, Diego Villamaina, Dr. Igor Barabanov, Dr. Latevi Max Lawson Daku, Prof. Dr. Eric Vauthey

Journal:

Angewandte Chemie International Edition

Année:

2011

Langue:

english

Fichier:

PDF, 376 KB

english, 2011

3

On the role of ligand-field states for the photophysical properties of ruthenium(II) polypyridyl complexes

Sun, Qinchao, Mosquera-Vazquez, Sandra, Suffren, Yan, Hankache, Jihane, Amstutz, Nahid, Lawson Daku, Latévi Max, Vauthey, Eric, Hauser, Andreas

Journal:

Coordination Chemistry Reviews

Année:

2015

Langue:

english

Fichier:

PDF, 3.22 MB

english, 2015

4

Photoswitching of the Dielectric Constant of the Spin-Crossover Complex [Fe(L)(CN)2]⋅H2O

Sébastien Bonhommeau, Thomas Guillon, Latévi Max Lawson Daku, Philippe Demont, José Sanchez Costa, Jean-François Létard, Gábor Molnár, Azzedine Bousseksou

Journal:

Angewandte Chemie

Année:

2006

Langue:

english

Fichier:

PDF, 157 KB

english, 2006

5

Photoinduced Symmetry-Breaking Charge Separation: The Direction of the Charge Transfer

Vesna Markovic, Diego Villamaina, Dr. Igor Barabanov, Dr. Latevi Max Lawson Daku, Prof. Dr. Eric Vauthey

Journal:

Angewandte Chemie

Année:

2011

Langue:

english

Fichier:

PDF, 386 KB

english, 2011

6

Photoswitching of the Dielectric Constant of the Spin-Crossover Complex [Fe(L)(CN)2]⋅H2O

Sébastien Bonhommeau, Thomas Guillon, Latévi Max Lawson Daku, Philippe Demont, José Sanchez Costa, Jean-François Létard, Gábor Molnár, Azzedine Bousseksou

Journal:

Angewandte Chemie International Edition

Année:

2006

Langue:

english

Fichier:

PDF, 157 KB

english, 2006

7

Al3Li4(BH4)13: A Complex Double-Cation Borohydride with a New Structure

Inge Lindemann, Roger Domènech Ferrer, Lothar Dunsch, Yaroslav Filinchuk, Radovan Černý, Hans Hagemann, Vincenza D'Anna, Latévi Max Lawson Daku, Ludwig Schultz, Oliver Gutfleisch

Journal:

Chemistry - A European Journal

Année:

2010

Langue:

english

Fichier:

PDF, 377 KB

english, 2010

8

ChemInform Abstract: Al3Li4(BH4)13: A Complex Double-Cation Borohydride with a New Structure.

Inge Lindemann, Roger Domenech Ferrer, Lothar Dunsch, Yaroslav Filinchuk, Radovan Cerny, Hans Hagemann, Vincenza D'Anna, Latevi Max Lawson Daku, Ludwig Schultz, Oliver Gutfleisch

Journal:

Année:

2010

Langue:

english

Fichier:

PDF, 17 KB

english, 2010

9

Assessment of Density Functionals for the High-Spin/Low-Spin Energy Difference in the Low-Spin Iron(II) Tris(2,2′-bipyridine) Complex

Latévi Max Lawson Daku, Alfredo Vargas, Andreas Hauser, Antony Fouqueau, Mark Earl Casida

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 585 KB

english, 2005

10

Molecular Orbitals of Transition Metal Complexes. By Yves Jean.

Latévi Max Lawson Daku

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 46 KB

english, 2006

11

Low-temperature lifetimes of metastable high-spin states in spin-crossover and in low-spin iron(II) compounds: The rule and exceptions to the rule

Andreas Hauser, Cristian Enachescu, Max Lawson Daku, Alfredo Vargas, Nahid Amstutz

Journal:

Coordination Chemistry Reviews

Année:

2006

Langue:

english

Fichier:

PDF, 431 KB

english, 2006

12

Spin-transition in nearly cubic site in [FeII(L)3][PF6]2

Vibha Mishra, Rabindranath Mukherjee, Jorge Linares, Epiphane Codjovi, François Varret, Max Lawson-Daku

Journal:

Hyperfine Interactions

Année:

2009

Langue:

english

Fichier:

PDF, 381 KB

english, 2009

13

Accurate Spin-State Energetics of Transition Metal Complexes. 1. CCSD(T), CASPT2, and DFT Study of [M(NCH) 6 ] 2+ (M = Fe, Co)

Lawson Daku, Latévi Max, Aquilante, Francesco, Robinson, Timothy W., Hauser, Andreas

Journal:

Journal of Chemical Theory and Computation

Année:

2012

Langue:

english

Fichier:

PDF, 788 KB

english, 2012

14

TetrathiafulvaleneBenzothiadiazoles as Redox-Tunable Donor-Acceptor Systems: Synthesis and Photophysical Study

Pop, Flavia, Amacher, Anneliese, Avarvari, Narcis, Ding, Jie, Daku, Latevi Max Lawson, Hauser, Andreas, Koch, Marius, Hauser, Jürg, Liu, Shi-Xia, Decurtins, Silvio

Journal:

Chemistry - A European Journal

Année:

2013

Langue:

english

Fichier:

PDF, 2.07 MB

english, 2013

15

Towards accurate estimates of the spin-state energetics of spin-crossover complexes within density functional theory: a comparative case study of cobalt(ii) complexes

Vargas, Alfredo, Krivokapic, Itana, Hauser, Andreas, Lawson Daku, Latévi Max

Journal:

Physical Chemistry Chemical Physics

Année:

2013

Langue:

english

Fichier:

PDF, 1.66 MB

english, 2013

16

Comparison of density functionals for energy and structural differences between the high- [[sup 5]T[sub 2g]: (t[sub 2g])[sup 4](e[sub g])[sup 2]] and low- [[sup 1]A[sub 1g]: (t[sub 2g])[sup 6](e[sub g])[sup 0]] spin states of the hexaquoferrous cation [Fe(H[sub 2]O)[sub 6]][sup 2+]

Fouqueau, Antony, Mer, Sébastien, Casida, Mark E., Lawson Daku, Latevi Max, Hauser, Andreas, Mineva, Tsonka, Neese, Frank

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 1.76 MB

english, 2004

17

Magnetic Susceptibility Tensor and Heme Contact Shifts Determinations in the Rhodobacter c apsulatus Ferricytochrome c ‘ : NMR and Magnetic Susceptibility Studies

Tsan, Pascale, Caffrey, Michael, Daku, Max Lawson, Cusanovich, Michael, Marion, Dominique, Gans, Pierre

Journal:

Journal of the American Chemical Society

Année:

2001

Langue:

english

Fichier:

PDF, 289 KB

english, 2001

18

A modified cyclen azaxanthone ligand as a new fluorescent probe for Zn2+

Nouri, Hela, Cadiou, Cyril, Lawson-Daku, Latévi Max, Hauser, Andreas, Chevreux, Sylviane, Déchamps-Olivier, Isabelle, Lachaud, Fabien, Ternane, Riadh, Trabelsi-Ayadi, Malika, Chuburu, Françoise, Lemer

Journal:

Dalton Transactions

Année:

2013

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2013

19

Experimental Evidence of Ultrafast Quenching of the 3 MLCT Luminescence in Ruthenium(II) Tris-bipyridyl Complexes via a 3 dd State

Sun, Qinchao, Mosquera-Vazquez, Sandra, Lawson Daku, Latévi Max, Guénée, Laure, Goodwin, Harold A., Vauthey, Eric, Hauser, Andreas

Journal:

Journal of the American Chemical Society

Année:

2013

Langue:

english

Fichier:

PDF, 936 KB

english, 2013

20

Tetrathiafulvalene-s-tetrazine: versatile platform for donor–acceptor systems and multifunctional ligands

Pop, Flavia, Ding, Jie, Daku, Latévi Max Lawson, Hauser, Andreas, Avarvari, Narcis

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 518 KB

english, 2013

21

Unidirectional Photoisomerization of Styrylpyridine for Switching the Magnetic Behavior of an Iron(II) Complex: A MLCT Pathway in Crystalline Solids

Tissot, Antoine, Boillot, Marie-Laure, Pillet, Sébastien, Codjovi, Epiphane, Boukheddaden, Kamel, Lawson Daku, Latévi Max

Journal:

The Journal of Physical Chemistry C

Année:

2010

Langue:

english

Fichier:

PDF, 2.00 MB

english, 2010

22

Vibrational spectra and structure of borohydrides

D’Anna, Vincenza, Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

Journal of Alloys and Compounds

Année:

2013

Langue:

english

Fichier:

PDF, 458 KB

english, 2013

23

Ab Initio Molecular Dynamics Study of an Aqueous Solution of [Fe(bpy) 3 ](Cl) 2 in the Low-Spin and in the High-Spin States

Lawson Daku, Latévi Max, Hauser, Andreas

Journal:

The Journal of Physical Chemistry Letters

Année:

2010

Langue:

english

Fichier:

PDF, 3.14 MB

english, 2010

24

Investigation of the Influence of Solute−Solvent Interactions on the Vibrational Energy Relaxation Dynamics of Large Molecules in Liquids

Pigliucci, Anatolio, Duvanel, Guillaume, Daku, Latévi Max Lawson, Vauthey, Eric

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 420 KB

english, 2007

25

Influence of Guest−Host Interactions on the Structural, Energetic, and Mössbauer Spectroscopy Properties of Iron(II)tris(2,2′-bipyridine) in the Low-Spin and High-Spin States: A Density-Functional Theory Study of the Zeolite-Y Embedded Complex

Vargas, Alfredo, Hauser, Andreas, Lawson Daku, Latévi Max

Journal:

Journal of Chemical Theory and Computation

Année:

2009

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2009

26

Bimetallic Borohydrides in the System M (BH 4 ) 2 –KBH 4 ( M = Mg, Mn): On the Structural Diversity

Schouwink, Pascal, D’Anna, Vincenza, Ley, Morten Brix, Lawson Daku, Latévi Max, Richter, Bo, Jensen, Torben R., Hagemann, Hans, Černý, Radovan

Journal:

The Journal of Physical Chemistry C

Année:

2012

Langue:

english

Fichier:

PDF, 2.53 MB

english, 2012

27

Density-Functional Theory Study of the Stereochemistry of Chloroiron(III) and Chloromanganese(III) Complexes of a Bridled Chiroporphyrin

Daku, Latévi Max Lawson, Castaings, Anna, Marchon, Jean-Claude

Journal:

Inorganic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 4.01 MB

english, 2009

28

Chiroptical and Computational Studies of a Bridled Chiroporphyrin and of Its Nickel(II), Copper(II), and Zinc(II) Complexes

Maheut, Géraldine, Castaings, Anna, Pécaut, Jacques, Lawson Daku, Latévi Max, Pescitelli, Gennaro, Di Bari, Lorenzo, Marchon, Jean-Claude

Journal:

Journal of the American Chemical Society

Année:

2006

Langue:

english

Fichier:

PDF, 206 KB

english, 2006

29

Unusual Contact Shifts and Magnetic Tensor Orientation in Rhodobacter capsulatus Ferrocytochrome c ‘: NMR, Magnetic Susceptibility, and EPR Studies

Tsan, Pascale, Caffrey, Michael, Daku, Max Lawson, Cusanovich, Michael, Marion, Dominique, Gans, Pierre

Journal:

Journal of the American Chemical Society

Année:

1999

Langue:

english

Fichier:

PDF, 151 KB

english, 1999

30

compounds: Physical- and chemical-pressure effects

D’Anna, Vincenza, Daku, Latévi Max Lawson, Hagemann, Hans, Kubel, Frank

Journal:

Physical Review B

Année:

2010

Langue:

english

Fichier:

PDF, 633 KB

english, 2010

31

Photophysics of the galvinoxyl free radical revisited

Grilj, Jakob, Zonca, Cedric, Daku, Latevi Max Lawson, Vauthey, Eric

Journal:

Physical Chemistry Chemical Physics

Année:

2012

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2012

32

Density-Functional Theory Investigation of the Geometric, Energetic, and Optical Properties of the Cobalt(II)tris(2,2‘-bipyridine) Complex in the High-Spin and the Jahn−Teller Active Low-Spin States

Vargas, Alfredo, Zerara, Mohamed, Krausz, Elmars, Hauser, Andreas, Lawson Daku, Latévi Max

Journal:

Journal of Chemical Theory and Computation

Année:

2006

Langue:

english

Fichier:

PDF, 794 KB

english, 2006

33

Where does the Raman optical activity of [Rh(en) 3 ] 3+ come from? Insight from a combined experimental and theoretical approach

Humbert-Droz, Marie, Oulevey, Patric, Lawson Daku, Latévi Max, Luber, Sandra, Hagemann, Hans, Bürgi, Thomas

Journal:

Physical Chemistry Chemical Physics

Année:

2014

Langue:

english

Fichier:

PDF, 3.35 MB

english, 2014

34

A novel ruthenium(ii) complex for two-photon absorption-based optical power limiting in the near-IR range

Four, Mickaël, Riehl, Didier, Mongin, Olivier, Blanchard-Desce, Mireille, Lawson-Daku, Latévi Max, Moreau, Juliette, Chauvin, Jérôme, Delaire, Jacques A., Lemercier, Gilles

Journal:

Physical Chemistry Chemical Physics

Année:

2011

Langue:

english

Fichier:

PDF, 2.06 MB

english, 2011

35

Comparison of density functionals for energy and structural differences between the high- [[sup 5]T[sub 2g]:(t[sub 2g])[sup 4](e[sub g])[sup 2]] and low- [[sup 1]A[sub 1g]:(t[sub 2g])[sup 6](e[sub g])[sup 0]] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH[sub 3])[sub 6]][sup 2+]

Fouqueau, Antony, Casida, Mark E., Daku, Latévi Max Lawson, Hauser, Andreas, Neese, Frank

Journal:

The Journal of Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 823 KB

english, 2005

36

ChemInform Abstract: Modeling Transition Metal Complexes in the Framework of the Spin-Crossover Phenomenon: A DFT Perspective

Lawson Daku, Latevi Max

Journal:

Année:

2014

Fichier:

PDF, 12 KB

2014

37

First-principles study of the pressure dependence of the structural and vibrational properties of the ternary metal hydride

Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

Physical Review B

Année:

2007

Langue:

english

Fichier:

PDF, 203 KB

english, 2007

38

Magnetostructural correlations and spin model of

Lawson Daku, Latévi Max, Borshch, Serguei, Robert, Vincent, Bigot, Bernard

Journal:

Physical Review B

Année:

2001

Langue:

english

Fichier:

PDF, 270 KB

english, 2001

39

quadrupolar clock transition in neutral Ag atoms

Topcu, Suat, Nasser, Jamil, Daku, Latévi Max Lawson, Fritzsche, Stephan

Journal:

Physical Review A

Année:

2006

Langue:

english

Fichier:

PDF, 114 KB

english, 2006

40

Ab initio static and molecular dynamics study of the absorption spectra of the 4-styrylpyridine photoswitch in its cis and trans forms

Daku, Latévi Max Lawson, Linares, Jorge, Boillot, Marie-Laure

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 2.64 MB

english, 2010

41

Pd 2 Au 36 (SR) 24 cluster: structure studies

Zhang, Bei, Kaziz, Sameh, Li, Houhua, Wodka, Dawid, Malola, Sami, Safonova, Olga, Nachtegaal, Maarten, Mazet, Clément, Dolamic, Igor, Llorca, Jordi, Kalenius, Elina, Lawson Daku, Latévi Max, Hakkinen,

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.50 MB

english, 2015

42

Quantitative Spectra–Structure Relations for Borohydrides

D’Anna, Vincenza, Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 799 KB

english, 2015

43

A theoretical study of the spectroscopic properties of B2H6 and of a series of Bx

Sethio, Daniel, Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

International Journal of Hydrogen Energy

Année:

2016

Langue:

english

Fichier:

PDF, 843 KB

english, 2016

44

Halide Free M(BH 4 ) 2 (M = Sr, Ba, and Eu) Synthesis, Structure, and Decomposition

Sharma, Manish, Didelot, Emilie, Spyratou, Alexandra, Lawson Daku, Latévi Max, Černý, Radovan, Hagemann, Hans

Journal:

Inorganic Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 5.09 MB

english, 2016

45

Computational study of the vibrational spectroscopy properties of boron-hydrogen compounds: Mg(B 3 H 8 ) 2 , CB 9 H 10 − and CB 11 H 12 −

Sethio, Daniel, Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

International Journal of Hydrogen Energy

Année:

2017

Langue:

english

Fichier:

PDF, 858 KB

english, 2017

46

Probing the impact of solvation on photoexcited spin crossover complexes with high-precision X-ray transient absorption spectroscopy

Liu, Cunming, Zhang, Jianxin, Lawson Daku, Latévi Max, Gosztola, David J, Canton, Sophie, Zhang, Xiaoyi

Journal:

Journal of the American Chemical Society

Année:

2017

Langue:

english

Fichier:

PDF, 817 KB

english, 2017

47

Correlating boron-hydrogen stretching frequencies with boron-hydrogen bond lengths in closoboranes: an approach using DFT calculations

Hagemann, Hans, Sharma, Manish, Sethio, Daniel, Lawson Daku, Latévi Max

Journal:

Helvetica Chimica Acta

Année:

2017

Langue:

english

Fichier:

PDF, 695 KB

english, 2017

48

Spin-state dependence of the structural and vibrational properties of solvated iron(II) polypyridyl complexes from AIMD simulations: aqueous [Fe(bpy) 3 ]Cl 2 , a case study

Lawson Daku, Latevi Max

Journal:

Physical Chemistry Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 2.43 MB

english, 2018

49

Dipole Moment and Polarizability of Tunable Intramolecular Charge Transfer States in Heterocyclic π-Conjugated Molecular Dyads Determined by Computational and Stark Spectroscopic Study

Rohwer, Egmont Johann, Akbarimoosavi, Maryam, Meckel, Steven E., Liu, Xunshan, Geng, Yan, Lawson Daku, Latévi Max, Hauser, Andreas, Cannizzo, Andrea, Decurtins, Silvio, Stanley, Robert J., Liu, Shi-Xi

Journal:

The Journal of Physical Chemistry C

Année:

2018

Langue:

english

Fichier:

PDF, 1.89 MB

english, 2018

50

Theoretical Study of Halogenated B 12 H n X (12-n)2- (X=F, Cl, Br)

Sharma, Manish, Sethio, Daniel, Lawson Daku, Latévi Max, Hagemann, Hans

Journal:

Journal of Physical Chemistry A

Année:

2019

Langue:

english

Fichier:

PDF, 527 KB

english, 2019