Vlasta Bonacič-Koutecký: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

General properties of the Hartree-Fock problem demonstrated on the frontier orbital model

Vlasta Bonačić-Koutecký, Jaroslav Koutecký

Journal:

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

Year:

1975

Language:

english

File:

PDF, 721 KB

english, 1975

2

Photochemicalsyn-antiisomerization of a Schiff base: A two-dimensional description of a conical intersection in formaldimine

Vlasta Bonačić-Koutecký, Josef Michl

Journal:

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

Year:

1985

Language:

english

File:

PDF, 589 KB

english, 1985

3

A Mixed Quantum–Classical Description of Excitation Energy Transfer in Supramolecular Complexes: Förster Theory and beyond

Jörg Megow, Prof. Dr. Beate Röder, Alexander Kulesza, Prof. Dr. Vlasta Bonačić-Koutecký, Dr. Volkhard May

Journal:

Year:

2011

Language:

english

File:

PDF, 908 KB

english, 2011

4

Die C8H12-Energiehyperfläche Thermolyse von syn- und anti-Tricyclo[4.2.0.02,5]octan. Experimentelle und theoretische Untersuchungen

Hans-Dieter Martin, Erwin Eisenmann, Michael Kunze, Vlasta Bonacič-Koutecký

Journal:

European Journal of Inorganic Chemistry

Year:

1980

File:

PDF, 1.43 MB

1980

5

Quantum chemistry of small clusters of elements of groups Ia, Ib, and IIa: fundamental concepts, predictions, and interpretation of experiments

Bonacic-Koutecky, Vlasta., Fantucci, Piercarlo., Koutecky, Jaroslav.

Journal:

Chemical Reviews

Year:

1991

Language:

english

File:

PDF, 9.75 MB

english, 1991

6

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

7

Exploring similarities in reactivity of superatom species: a combined theoretical and experimental investigation

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

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.60 MB

english, 2012

8

Femtosecond Time-Resolved Geometry Relaxation and Ultrafast Intramolecular Energy Redistribution in Ag2Au

Thorsten M. Bernhardt, Jan Hagen, Liana D. Socaciu, Roland Mitrić, Andreas Heidenreich, Jérôme Le Roux, Denisia Popolan, Mihai Vaida, Ludger Wöste, Vlasta Bonačić-Koutecký, Joshua Jortner

Journal:

Year:

2005

Language:

english

File:

PDF, 289 KB

english, 2005

9

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

10

A harmonic approximation of intramolecular vibrations in a mixed quantum–classical methodology: Linear absorbance of a dissolved Pheophorbid-a molecule as an example

Jörg Megow, Alexander Kulesza, Zheng-wang Qu, Thomas Ronneberg, Vlasta Bonačić-Koutecký, Volkhard May

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 560 KB

english, 2010

11

Biradicals and biradicaloids: a unified view

Josef Michl, Vlasta Bonačić-Koutecký

Journal:

Year:

1988

Language:

english

File:

PDF, 2.12 MB

english, 1988

12

General properties of the hartree-fock problem demonstrated on the frontier orbital model

Vlasta Bonačić-Koutecký, Jaroslav Koutecký

Journal:

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

Year:

1975

Language:

english

File:

PDF, 924 KB

english, 1975

13

Binding motifs of silver in prion octarepeat model peptides: a joint ion mobility, IR and UV spectroscopies, and theoretical approach

Bellina, Bruno, Compagnon, Isabelle, MacAleese, Luke, Chirot, Fabien, Lemoine, Jérôme, Maître, Philippe, Broyer, Michel, Antoine, Rodolphe, Kulesza, Alexander, Mitrić, Roland, Bonačić-Koutecký, Vlasta

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.23 MB

english, 2012

14

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

15

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

16

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

17

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

18

Generation of Oxygen Radical Centers in Binary Neutral Metal Oxide Clusters for Catalytic Oxidation Reactions

Melanie Nößler, Roland Mitrić, Vlasta Bonačić-Koutecký, Grant E. Johnson, Eric C. Tyo, A. Welford Castleman Jr.

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 384 KB

english, 2010

19

Composition dependent selectivity in the coadsorption of H2O and CO on pure and binary silver–gold clusters

Fleischer, Irene, Popolan, Denisia M., Krstić, Marjan, Bonačić-Koutecký, Vlasta, Bernhardt, Thorsten M.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 617 KB

english, 2013

20

Formation and characterization of thioglycolic acid–silver cluster complexes

Bellina, Bruno, Antoine, Rodolphe, Broyer, Michel, Gell, Lars, Sanader, Željka, Mitrić, Roland, Bonačić-Koutecký, Vlasta, Dugourd, Philippe

Journal:

Dalton Transactions

Year:

2013

Language:

english

File:

PDF, 3.22 MB

english, 2013

21

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

22

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

23

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

24

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

25

Doubly Charged Silver Clusters Stabilized by Tryptophan: Ag42+ as an Optical Marker for Monitoring Particle Growth

Alexander Kulesza, Dr. Roland Mitrić, Prof. Vlasta Bonačić-Koutecký, Bruno Bellina, Dr. Isabelle Compagnon, Prof. Michel Broyer, Dr. Rodolphe Antoine, Prof. Philippe Dugourd

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 438 KB

english, 2011

26

Neutral and Charged Biradicals, Zwitterions, Funnels in S1, and Proton Translocation: Their Role in Photochemistry, Photophysics, and Vision

Prof. Vlasta Bonačić-Koutecký, Prof. Jaroslav Koutecký, Prof. Josef Michl

Journal:

Angewandte Chemie International Edition

Year:

1987

Language:

english

File:

PDF, 3.79 MB

english, 1987

27

Optical Properties of Gas-Phase Tryptophan–Silver Cations: Charge Transfer from the Indole Ring to the Silver Atom

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

Journal:

Year:

2006

Language:

english

File:

PDF, 218 KB

english, 2006

28

The pseudopotential-CI study of the interaction between ethylene and metal atoms, metal Oxides, and their cations (Me = Be, Mg, and Zn)

Malgorzata Witko, Vlasta BonačIć-Koutecký

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 871 KB

english, 1986

29

Non-adiabatic dynamics of pyrrole: Dependence of deactivation mechanisms on the excitation energy

Mario Barbatti, Jiří Pittner, Marek Pederzoli, Ute Werner, Roland Mitrić, Vlasta Bonačić-Koutecký, Hans Lischka

Journal:

Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.00 MB

english, 2010

30

Structure and reactivity of small particles: from clusters to aerosols

Bonačić-Koutecký, Vlasta, Bernhardt, Thorsten M.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.12 MB

english, 2012

31

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

32

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

33

Theoretical Exploration of Ultrafast Dynamics in Atomic Clusters: Analysis and Control

Vlasta Bonacic-Koutecky, Roland Mitric

Journal:

Year:

2005

File:

PDF, 8 KB

2005

34

On a possible mechanism of the multiple fluorescence of p-N, N-dimethylaminobenzonitrile and related compounds

Wolfgang Rettig, Vlasta Bonačić-Koutecký

Journal:

Chemical Physics Letters

Year:

1979

Language:

english

File:

PDF, 653 KB

english, 1979

35

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

36

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

37

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

38

A Rationale Strategy to Tune the Optical Properties of Gold Catenane Nanoclusters by Doping with Silver Atoms

Basu, Srestha, PeriÄ BakuliÄ, Martina, Fakhouri, Hussein, Russier-Antoine, Isabelle, Moulin, Christophe, Brevet, Pierre-FranÃ§ois, Bonacic-Koutecky, Vlasta, Antoine, Rodolphe

Journal:

The Journal of Physical Chemistry C

Year:

2020

File:

PDF, 961 KB

2020

39

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

40

Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations

Comby-Zerbino, Clothilde, Perić, Martina, Bertorelle, Franck, Chirot, Fabien, Dugourd, Philippe, Bonačić-Koutecký, Vlasta, Antoine, Rodolphe

Journal:

Year:

2019

File:

PDF, 1023 KB

2019

41

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

42

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

43

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

44

Ligand shell size effects on one- and two-photon excitation fluorescence of zwitterion functionalized gold nanoclusters

Perić, Martina, Sanader Maršić, Željka, Russier-Antoine, Isabelle, Fakhouri, Hussein, Bertorelle, Franck, Brevet, Pierre-François, le Guével, Xavier, Antoine, Rodolphe, Bonačić-Koutecký, Vlasta

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 2.59 MB

2019

45

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

46

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

47

Catenane Structures of Homoleptic Thioglycolic Acid-Protected Gold Nanoclusters Evidenced by Ion Mobility-Mass Spectrometry and DFT Calculations

Comby-Zerbino, Clothilde, Perić, Martina, Bertorelle, Franck, Chirot, Fabien, Dugourd, Philippe, Bonačić-Koutecký, Vlasta, Antoine, Rodolphe

Journal:

Year:

2019

Language:

english

File:

PDF, 1023 KB

english, 2019

48

On the quenching mechanism of Na*(32P32) by CO: Surface-hopping trajectory calculations with ab initio CI potential energy surfaces

D. Papierowska-Kaminski, Maurizio Persico, Vlasta Bonačić-Koutecký

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 703 KB

english, 1985

49

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

50

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

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски