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51

Tuning Structural and Optical Properties of Thiolate-Protected Silver Clusters by Formation of a Silver Core with Confined Electrons

Gell, Lars, Kulesza, Alexander, Petersen, Jens, Röhr, Merle I. S., Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.55 MB

english, 2013

52

Isomer-specific spectroscopy of metal clusters trapped in a matrix:

Sieber, Christoph, Buttet, Jean, Harbich, Wolfgang, Félix, Christian, Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

Physical Review A

Year:

2004

Language:

english

File:

PDF, 168 KB

english, 2004

53

Structural and Optical Properties of Isolated Noble Metal–Glutathione Complexes: Insight into the Chemistry of Liganded Nanoclusters

Bellina, Bruno, Compagnon, Isabelle, Bertorelle, Franck, Broyer, Michel, Antoine, Rodolphe, Dugourd, Philippe, Gell, Lars, Kulesza, Alexander, Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.28 MB

english, 2011

54

[Science and Technology of Atomic, Molecular, Condensed Matter & Biological Systems] Nanoclusters - A Bridge across Disciplines Volume 1 || Tailoring Functionality of Clusters and Their Complexes with Biomolecules by Size, Structures, and Lasers

Bonačić-Koutecký, Vlasta

Year:

2010

Language:

english

File:

PDF, 5.05 MB

english, 2010

55

Binary Neutral Metal Oxide Clusters with Oxygen Radical Centers for Catalytic Oxidation Reactions: From Cluster Models Toward Surfaces

Nößler, Melanie, Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 388 KB

english, 2012

56

The Origin of the Selectivity and Activity of Ruthenium-Cluster Catalysts for Fuel-Cell Feed-Gas Purification: A Gas-Phase Approach

Lang, Sandra M., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 1.21 MB

english, 2014

57

Speciation of Copper–Peptide Complexes in Water Solution Using DFTB and DFT Approaches: Case of the [Cu(HGGG)(Py)] Complex

Bruschi, Maurizio, Bertini, Luca, Bonačić-Koutecký, Vlasta, De Gioia, Luca, Mitrić, Roland, Zampella, Giuseppe, Fantucci, Piercarlo

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 401 KB

english, 2012

58

Probing the Electronic Structure and Chemical Bonding of Gold Oxides and Sulfides in AuO n − and AuS n − ( n = 1, 2)

Zhai, Hua-Jin, Bürgel, Christian, Bonacic-Koutecky, Vlasta, Wang, Lai-Sheng

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 1.45 MB

english, 2008

59

Sudden polarization in zwitterionic excited states of organic intermediates in photochemical reactions. On a possible mechanism for bicyclo[3.1.0]hex-2-ene formation

Bonacic-Koutecky, Vlasta

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 778 KB

english, 1978

60

Ab initio CI study of the hydrogen abstraction by imidogen (NH(a1.DELTA.))

Fueno, Takayuki, Kajimoto, Okitsugu, Bonacic-Koutecky, Vlasta

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 270 KB

english, 1984

61

Ab initio CI study of chemical reactions of singlet and triplet imidogen (NH) radicals

Fueno, Takayuki, Bonacic-Koutecky, Vlasta, Koutecky, Jaroslav

Journal:

Journal of the American Chemical Society

Year:

1983

Language:

english

File:

PDF, 1.31 MB

english, 1983

62

A theory of free radical reactions

Bonacic-Koutecky, Vlasta, Koutecky, Jaroslav, Salem, Lionel

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 1.01 MB

english, 1977

63

Investigating Reactive Superoxide Units Bound to Zirconium Oxide Cations

Tyo, Eric C., Nossler, Melanie, Harmon, Christopher L., Mitrić, Roland, Bonačić-Koutecký, Vlasta, Castleman, A. W.

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.97 MB

english, 2011

64

Gas-Phase Synthesis and Structure of Wade-Type Ruthenium Carbonyl and Hydrido Carbonyl Clusters

Lang, Sandra M., Förtig, Sandra U., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 711 KB

english, 2014

65

Geometries of first triplet states of linear polyenes

Bonacic-Koutecky, Vlasta, Ishimaru, Shingo

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 846 KB

english, 1977

66

Electronic states of cyclobutadiene heteroanalogs. Critical biradicaloids

Bonacic-Koutecky, Vlasta, Schoeffel, Klaus, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 680 KB

english, 1989

67

Charge-transfer-biradical excited states: relation to anomalous fluorescence. "Negative" S1-T1 splitting in twisted aminoborane

Bonacic-Koutecky, Vlasta, Michl, Josef

Journal:

Journal of the American Chemical Society

Year:

1985

Language:

english

File:

PDF, 783 KB

english, 1985

68

Use of configuration selection methods to study the sudden polarization effect

Bonacic-Koutecky, Vlasta, Buenker, Robert J., Peyerimhoff, Sigrid D.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 746 KB

english, 1979

69

Laser pulse trains for controlling excited state dynamics of adenine in water

Petersen, Jens, Wohlgemuth, Matthias, Sellner, Bernhard, Bonačić-Koutecký, Vlasta, Lischka, Hans, Mitrić, Roland

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 8.16 MB

english, 2012

70

Reactivity of stoichiometric titanium oxide cations

Tyo, Eric C., Nőβler, Melanie, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Castleman Jr., A. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.26 MB

english, 2011

71

Field-induced surface hopping method for probing transition state nonadiabatic dynamics of Ag3

Mitrić, Roland, Petersen, Jens, Wohlgemuth, Matthias, Werner, Ute, Bonačić-Koutecký, Vlasta

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.66 MB

english, 2011

72

Analysis and control of ultrafast photon-induced processes

Bonačić-Koutecký, Vlasta, Ernsting, Nikolaus, Jortner, Joshua, Manz, Jörn, Rühl, Eckart, Wöste, Ludger

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 177 KB

english, 2011

73

A DFT study of EPR parameters in Cu(ii) complexes of the octarepeat region of the prion protein

Bruschi, Maurizio, De Gioia, Luca, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Fantucci, Piercarlo

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 706 KB

english, 2008

74

Silver cluster–biomolecule hybrids: from basics towards sensors

Bonačić-Koutecký, Vlasta, Kulesza, Alexander, Gell, Lars, Mitrić, Roland, Antoine, Rodolphe, Bertorelle, Franck, Hamouda, Ramzi, Rayane, Driss, Broyer, Michel, Tabarin, Thibault, Dugourd, Philippe

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.62 MB

english, 2012

75

Laser-field-induced surface-hopping method for the simulation and control of ultrafast photodynamics

Mitrić, Roland, Petersen, Jens, Bonačić-Koutecký, Vlasta

Journal:

Physical Review A

Year:

2009

Language:

english

File:

PDF, 575 KB

english, 2009

76

Water activation by small free ruthenium oxide clusters

Lang, Sandra M., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.27 MB

english, 2014

77

Observation and Theoretical Description of Periodic Geometric Rearrangement in Electronically Excited Nonstoichiometric Sodium-Fluoride Clusters

Vajda, Štefan, Lupulescu, Cosmin, Merli, Andrea, Budzyn, Filip, Wöste, Ludger, Hartmann, Michael, Pittner, Jiří, Bonačić-Koutecký, Vlasta

Journal:

Physical Review Letters

Year:

2002

Language:

english

File:

PDF, 200 KB

english, 2002

78

How Shaped Light Discriminates Nearly Identical Biochromophores

Petersen, Jens, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Wolf, Jean-Pierre, Roslund, Jonathan, Rabitz, Herschel

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 769 KB

english, 2010

79

Optimal control of mode-selective femtochemistry in multidimensional systems

Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

Physical Review A

Year:

2007

Language:

english

File:

PDF, 272 KB

english, 2007

80

Inside Cover: The Origin of the Selectivity and Activity of Ruthenium-Cluster Catalysts for Fuel-Cell Feed-Gas Purification: A Gas-Phase Approach (Angew. Chem. Int. Ed. 21/2014)

Lang, Sandra M., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Angewandte Chemie International Edition

Year:

2014

File:

PDF, 810 KB

2014

81

Absorption Enhancement and Conformational Control of Peptides by Small Silver Clusters

Tabarin, Thibault, Kulesza, Alexander, Antoine, Rodolphe, Mitrić, Roland, Broyer, Michel, Dugourd, Philippe, Bonačić-Koutecký, Vlasta

Journal:

Physical Review Letters

Year:

2008

Language:

english

File:

PDF, 1.81 MB

english, 2008

82

UV Photodissociation of Proline-containing Peptide Ions: Insights from Molecular Dynamics

Girod, Marion, Sanader, Zeljka, Vojkovic, Marin, Antoine, Rodolphe, MacAleese, Luke, Lemoine, Jérôme, Bonacic-Koutecky, Vlasta, Dugourd, Philippe

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2015

Language:

english

File:

PDF, 2.08 MB

english, 2015

83

Gas-phase VUV photoionisation and photofragmentation of the silver deuteride nanocluster [Ag 10 D 8 L 6 ] 2+ (L = bis(diphenylphosphino)methane). A joint experimental and theoretical study

Daly, Steven, Krstić, Marjan, Giuliani, Alexandre, Antoine, Rodolphe, Nahon, Laurent, Zavras, Athanasios, Khairallah, George N., Bonačić-Koutecký, Vlasta, Dugourd, Philippe, O'Hair, Richard A. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.42 MB

english, 2015

84

Tuning Ag 29 nanocluster light emission from red to blue with one and two-photon excitation

Russier-Antoine, Isabelle, Bertorelle, Franck, Hamouda, Ramzi, Rayane, Driss, Dugourd, Philippe, Sanader, Željka, Bonačić-Koutecký, Vlasta, Brevet, Pierre-François, Antoine, Rodolphe

Journal:

Year:

2016

Language:

english

File:

PDF, 871 KB

english, 2016

85

Two-photon absorption of ligand-protected Ag15 nanoclusters. Towards a new class of nonlinear optics nanomaterials.

Sanader, Zeljka, Krstic, Marjan, Russier-Antoine, Isabelle, Bertorelle, Franck, Dugourd, Philippe, Brevet, Pierre-François, Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.37 MB

english, 2016

86

Innentitelbild: Ursprung der Selektivität und Aktivität von Ru-Clusterkatalysatoren für die Brennstoffzellen-Prozessgasreinigung: ein Gasphasenansatz (Angew. Chem. 21/2014)

Lang, Sandra M., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Angewandte Chemie

Year:

2014

File:

PDF, 807 KB

2014

87

Nonlinear Absorption Dynamics Using Field-Induced Surface Hopping: Zinc Porphyrin in Water

Röhr, Merle I. S., Petersen, Jens, Wohlgemuth, Matthias, Bonačić-Koutecký, Vlasta, Mitrić, Roland

Journal:

Year:

2013

Language:

english

File:

PDF, 2.23 MB

english, 2013

88

Ursprung der Selektivität und Aktivität von Ru-Clusterkatalysatoren für die Brennstoffzellen-Prozessgasreinigung: ein Gasphasenansatz

Lang, Sandra M., Bernhardt, Thorsten M., Krstić, Marjan, Bonačić-Koutecký, Vlasta

Journal:

Angewandte Chemie

Year:

2014

Language:

german

File:

PDF, 1.02 MB

german, 2014

89

Formation and Characterisation of the Silver Hydride Nanocluster Cation [Ag 3 H 2 ((Ph 2 P) 2 CH 2 )] + and Its Release of Hydrogen

Girod, Marion, Krstić, Marjan, Antoine, Rodolphe, MacAleese, Luke, Lemoine, Jérome, Zavras, Athanasios, Khairallah, George N., Bonačić-Koutecký, Vlasta, Dugourd, Philippe, O'Hair, Richard A. J.

Journal:

Chemistry - A European Journal

Year:

2014

Language:

english

File:

PDF, 1.81 MB

english, 2014

90

ESI/MS investigation of routes to the formation of silver hydride nanocluster dications [AgxHx−2Ly]2+ and gas-phase unimolecular chemistry of [Ag10H8L6]2+

Krstić, Marjan, Zavras, Athanasios, Khairallah, George N., Dugourd, Philippe, Bonačić-Koutecký, Vlasta, O’Hair, Richard A.J.

Journal:

International Journal of Mass Spectrometry

Year:

2016

Language:

english

File:

PDF, 2.17 MB

english, 2016

91

Ligand-induced substrate steering and reshaping of [Ag2(H)]+ scaffold for selective CO2 extrusion from formic acid

Zavras, Athanasios, Khairallah, George N., Krstić, Marjan, Girod, Marion, Daly, Steven, Antoine, Rodolphe, Maitre, Philippe, Mulder, Roger J., Alexander, Stefanie-Ann, Bonačić-Koutecký, Vlasta, Dugour

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 1.39 MB

english, 2016

92

Ligand-core NLO-phores: a combined experimental and theoretical approach to the two-photon absorption and two-photon excited emission properties of small-ligated silver nanoclusters

Russier-Antoine, Isabelle, Bertorelle, Franck, Calin, Nathalie, Sanader, Željka, Krstić, Marjan, Comby-Zerbino, Clothilde, Dugourd, Philippe, Brevet, Pierre-François, Bonačić-Koutecký, Vlasta, Antoine

Journal:

Year:

2017

Language:

english

File:

PDF, 1.35 MB

english, 2017

93

Selectivity Effects in Bimetallic Catalysis: Role of the Metal Sites in the Decomposition of Formic Acid into H 2 and CO 2 by the Coinage Metal Binuclear Complexes [dppmMM′(H)] +

Zavras, Athanasios, Krstić, Marjan, Dugourd, Philippe, Bonačić-Koutecký, Vlasta, O'Hair, Richard A. J.

Journal:

Year:

2017

Language:

english

File:

PDF, 995 KB

english, 2017

94

Theoretical design of new class of optical materials based on small noble metal nanocluster-biomolecule hybrids and its potential for medical applications

Bonačić-Koutecký, Vlasta

Journal:

Advances in Physics: X

Year:

2017

Language:

english

File:

PDF, 3.33 MB

english, 2017

95

[SpringerBriefs in Materials] Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials || Liganded Silver and Gold Quantum Clusters: Background of Their Structural, Electronic, and Optical Properties

Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Year:

2018

Language:

english

File:

PDF, 612 KB

english, 2018

96

[SpringerBriefs in Materials] Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials || Measurement Techniques of Optical Nonlinearities—Two-Photon Absorption/Fluorescence and Hyper-Rayleigh Scattering

Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Year:

2018

Language:

english

File:

PDF, 501 KB

english, 2018

97

[SpringerBriefs in Materials] Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials || A Brief Survey of Nonlinear Optics: Second Harmonic Generation and Two-Photon Absorption

Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Year:

2018

Language:

english

File:

PDF, 131 KB

english, 2018

98

How to Translate the [LCu2(H)]+ - Catalysed Selective Decomposition of Formic Acid into H2 and CO2 from the Gas Phase into a Zeolite.

Krstić, Marjan, Jin, Qiuyan, Khairallah, Georege N., O'Hair, Richard A. J., Bonacic-Koutecky, Vlasta

Journal:

Year:

2017

Language:

english

File:

PDF, 3.63 MB

english, 2017

99

[SpringerBriefs in Materials] Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials || Design Strategy and Structure-Property Relation for Enhanced Two-Photon Absorption in Ligated Metal Nanoclusters

Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Year:

2018

Language:

english

File:

PDF, 471 KB

english, 2018

100

Why Do Silver Trimers Intercalated in DNA Exhibit Unique Nonlinear Properties That Are Promising for Applications?

Bonačić-Koutecký, Vlasta, Perić, Martina, Sanader, Željka

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 1.32 MB

english, 2018

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