Bonac: search on Z-Library

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

Don't use scam websites

51

An ab initio configuration interaction investigation of the excited states of the Li4 cluster

Vlasta Bonačič-Koutecký, Piercarlo Fantucci, Jaroslav Koutecký

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 543 KB

english, 1988

52

An ab initio configuration interaction study of the excited states of the Na4 cluster: Assignment of the absorption spectrum

V. Bonačić-Koutecký, P. Fantucci, J. Koutecký

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 594 KB

english, 1990

53

Interpretation of the absorption spectrum of Na8

V. Bonačić-Koutecký, M.M. Kappes, P. Fantucci, J. Koutecký

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 761 KB

english, 1990

54

Ab initio CI study of the electronic structure and geometry of neutral and cationic hydrogenated lithium clusters. Predictions and interpretation of measured properties

V. Bonac̆ić-Koutecký, J. Gaus, M.F. Guest, L. C̆es̆piva, J. Koutecký

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 1.02 MB

english, 1993

55

Ab initio predictions of optically allowed transitions in Na20. Nature of excitations and influence of geometry

V. Bonac̆ić-Koutecký, P. Fantucci, C. Fuchs, C. Gatti, J. Pittner, S. Polezzo

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 467 KB

english, 1993

56

Ab initio Hartree-Fock molecular dynamics with parallel processing: application to small neutral and charged Lin clusters

P. Fantucci, V. Bonačić-Koutecký, J. Jellinek, M. Wiechert, R.J. Harrison, M.F. Guest

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 955 KB

english, 1996

57

Ligand field splitting in square planar, trigonal bipyramidal, and octahedral structures by the diffuse charge model

V. Bonačić, M. Randić

Journal:

Journal of Molecular Structure

Year:

1971

Language:

english

File:

PDF, 922 KB

english, 1971

58

An analog and digital readout system for the circulating memory

Journal:

Nuclear Instruments and Methods

Year:

1966

Language:

english

File:

PDF, 214 KB

english, 1966

59

Million channel pulse height analyser through pseudo-random digital transformation

B. Souček, V. Bonačić, K. Čuljat

Journal:

Nuclear Instruments and Methods

Year:

1968

Language:

english

File:

PDF, 759 KB

english, 1968

60

Geometrical relaxation in the excited singlet states of propylene

V. Bonačić-Koutecký, L. Pogliani, M. Persico, J. Koutecký

Journal:

Year:

1982

Language:

english

File:

PDF, 1.11 MB

english, 1982

61

Comment on the possibility of the CO chemisorption on alkali metal surface

V. Bonačić-Koutecký, P. Fantucci, J. Kendrick, H.-O. Beckmann, J. Koutecký

Journal:

Surface Science Letters

Year:

1986

Language:

english

File:

PDF, 266 KB

english, 1986

62

An ab initio CI study on the possibility of the CO chemisorption on alkali metal surfaces: Interaction of the CO molecule with a Li atom and with Li5 clusters modelling the chemisorption sites at the (100) surface of the bcc and fcc Li lattice

J. Koutecký, U. Hanke, P. Fantucci, V. Bonačić-Koutecký, D. Papierowska-Kaminski

Journal:

Surface Science Letters

Year:

1986

Language:

english

File:

PDF, 50 KB

english, 1986

63

Nonadiabatic dynamics within the time dependent density functional theory: Ultrafast photodynamics in pyrazine

Ute Werner, Roland Mitrić, Toshinori Suzuki, Vlasta Bonačić-Koutecký

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 376 KB

english, 2008

64

Spectral properties of quasi-one-dimensional insulator: Influence of dipolar excitation

Ž. Bonačić Lošić

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

2009

Language:

english

File:

PDF, 339 KB

english, 2009

65

Sync/Async parallel search for the efficient design and construction of web search engines

Mauricio Marin, Veronica Gil-Costa, Carolina Bonacic, Ricardo Baeza-Yates, Isaac D. Scherson

Journal:

Parallel Computing

Year:

2010

Language:

english

File:

PDF, 742 KB

english, 2010

66

Photoemission properties of organic chain compounds

Ž. Bonačić Lošić, A. Bjeliš, P. Županović

Journal:

Physica B: Condensed Matter

Year:

2009

Language:

english

File:

PDF, 455 KB

english, 2009

67

Collective excitations in layered organic conductors

Ž. Bonačić Lošić, A. Bjeliš, P. Županović

Journal:

Physica B: Condensed Matter

Year:

2010

Language:

english

File:

PDF, 343 KB

english, 2010

68

Enzyme kinetics and the maximum entropy production principle

Andrej Dobovišek, Paško Županović, Milan Brumen, Željana Bonačić-Lošić, Domagoj Kuić, Davor Juretić

Journal:

Biophysical Chemistry

Year:

2011

Language:

english

File:

PDF, 363 KB

english, 2011

69

Absorption properties of cationic silver cluster–tryptophan complexes: A model for photoabsorption and photoemission enhancement in nanoparticle–biomolecule systems

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

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.10 MB

english, 2008

70

Ultrafast dynamics in noble metal clusters: The role of internal vibrational redistribution

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

Journal:

Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.11 MB

english, 2008

71

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

72

Multiple pathways in the photodynamics of a polar π-bond: A case study of silaethylene

Gunther Zechmann, Mario Barbatti, Hans Lischka, Jiří Pittner, Vlasta Bonačić-Koutecký

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 287 KB

english, 2006

73

Clusters as model systems for investigating nanoscale oxidation catalysis

Grant E. Johnson, Roland Mitrić, Vlasta Bonačić-Koutecký, A.W. Castleman Jr.

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 722 KB

english, 2009

74

Unique optical properties of silver cluster-biochromophore hybrids: Comparison with copper and gold

Alexander Kulesza, Roland Mitrić, Vlasta Bonačić-Koutecký

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 610 KB

english, 2011

75

Ab initio three-dimensional quantum dynamics of Ag3 clusters in the NeNePo process

I. Andrianov, V. Bonačić-Koutecký, M. Hartmann, J. Manz, J. Pittner, K. Sundermann

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 480 KB

english, 2000

76

Ab initio gradient corrected density functional molecular dynamics: investigation of structural and dynamical properties of the Li8 cluster

D. Reichardt, V. Bonačić-Koutecký, P. Fantucci, J. Jellinek

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 773 KB

english, 1997

77

Quantum mechanical treatment of stationary and dynamical properties of bound vibrational systems. Application to the relaxation dynamics of Ag5 after an electron photodetachment

Markus Warken, V. Bonačić-Koutecký

Journal:

Chemical Physics Letters

Year:

1997

Language:

english

File:

PDF, 982 KB

english, 1997

78

Biradicals and biradicaloids: a unified view

Josef Michl, Vlasta Bonačić-Koutecký

Journal:

Year:

1988

Language:

english

File:

PDF, 2.12 MB

english, 1988

79

Academic and research network of Slovenia

Avgust Jauk, Marko Bonač, Igor Ozimek, Gorazd Kandus

Journal:

Computer Communications

Year:

2003

Language:

english

File:

PDF, 249 KB

english, 2003

80

Theoretical study of the absorption spectrum of the pseudorotating Na3(B)

R. de Vivie-Riedle, J. Gaus, V. Bonačić-Koutecký, J. Manz, B. Reischl-Lenz, P. Saalfrank

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 1.02 MB

english, 1997

81

Ab-initio study of optical response properties of nonstoichiometric lithium-hydride and sodium-fluoride clusters

V Bonačić-Koutecký, J Pittner

Journal:

Chemical Physics

Year:

1997

Language:

english

File:

PDF, 441 KB

english, 1997

82

DFT investigation of copper–peptide complexes related to the octarepeat domain of the prion protein

Elena Franzini, Luca De Gioia, Piercarlo Fantucci, Giuseppe Zampella, Vlasta Bonačić-Koutecký

Journal:

Inorganic Chemistry Communications

Year:

2003

Language:

english

File:

PDF, 150 KB

english, 2003

83

Disparate phylogeographic patterns of molecular genetic variation in four closely related South American small cat species

Warren E. Johnson, Jill Pecon Slattery, Eduardo Eizirik, Jae-Heup Kim, Marilyn Menotti Raymond, Cristian Bonacic, Richard Cambre, Peter Crawshaw, Adauto Nunes, Héctor N. Seuánez, Miguel Angelo Marti

Journal:

Molecular Ecology

Year:

1999

Language:

english

File:

PDF, 1.65 MB

english, 1999

84

Theoretical study of structural and optical properties of small silver and gold clusters at defect centers of MgO

Christian Bürgel, Roland Mitrić, Vlasta Bonačić-Koutecký

Journal:

physica status solidi (b)

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

85

Theoretical approach for simulation of femtosecond spectra: New strategies for optimal control of complex systems

V. Bonac̆ić-Koutecký, R. Mitrić, M. Hartmann, J. Pittner

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 585 KB

english, 2004

86

Theoretical exploration of ultrafast spectroscopy of small clusters

V. Bonačić-Koutecký, Michael Hartmann, Jiří Pittner, Huub van Dam

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 1.30 MB

english, 2001

87

Direct minimization of the hartree-fock energy for alternant open shell molecules in the PPP model

Jaroslav KouteckÝ, Vlasta BonaC̆iÓ-KouteckÝ

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 328 KB

english, 1972

88

Nature of the “sudden polarization” effect and its role in photochemistry

Jaroslav Koutecky, Vlasta Bonačič-Koutecký, Jiří Čížek, Detlef Döhnert

Journal:

International Journal of Quantum Chemistry

Year:

1978

Language:

english

File:

PDF, 643 KB

english, 1978

89

Avoided crossing of molecular excited states and photochemistry: Butadiene and unprotonated Schiff base

V. Bonačić-Koutecký, M. Persico

Journal:

International Journal of Quantum Chemistry

Year:

1983

Language:

english

File:

PDF, 802 KB

english, 1983

90

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

91

Ligand field splitting for a diffuse charge model

V. Bonačić, M. Randić

Journal:

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

Year:

1968

Language:

english

File:

PDF, 286 KB

english, 1968

92

A Molecular orbital description for sulfur compounds of valences 2, 4 and 6

Vlasta Bonačić Koutecký, Jeremy I. Musher

Journal:

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

Year:

1974

Language:

english

File:

PDF, 589 KB

english, 1974

93

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

94

Critically heterosymmetric biradicaloid geometries of of protonated Schiff bases

V. Bonačić-Koutecký, K. Schöffel, J. Michl

Journal:

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

Year:

1987

Language:

english

File:

PDF, 818 KB

english, 1987

95

Core-valence correlation potentials based on density functional theory. Applications to valence-electron-only calculations on Na and K diatomics

P. Fantucci, S. Polezzo, V. Bonačić-Koutecký, J. Koutecký

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1989

Language:

english

File:

PDF, 673 KB

english, 1989

96

General properties of the electronic structure of alkali metal clusters and Ia-IIa mixed clusters

P. Fantucci, V. Bonačić-Koutecký, J. Koutecký

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1989

Language:

english

File:

PDF, 734 KB

english, 1989

97

Nature of excitations in small alkali metal and other mixed clusters

V. Bonačić-Koutecký, P. Fantucci, C. Fuchs, J. Koutecký, J. Pittner

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1993

Language:

english

File:

PDF, 628 KB

english, 1993

98

ECP-CI study of electronic structure and geometry of small neutral and charged Agnclusters; Predictions and interpretation of measured properties

V. Bonačić-Koutecký, L. Češpiva, P. Fantucci, J. Koutecký

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1993

Language:

english

File:

PDF, 321 KB

english, 1993

99

Ground and excited states properties of Na4Fm=1−3, Li4H and Li4H2clusters

V. Bonačić-Koutecký, C. Fuchs, J. Gaus, J. Pittner, J. Koutecký

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1993

Language:

english

File:

PDF, 304 KB

english, 1993

100

Quantum molecular interpretation of absorption spectra of small alkali metal clusters

V. Bonačić-Koutecký, P. Fantucci, J. Gaus, J. Koutecký

Journal:

Zeitschrift für Physik D Atoms, Molecules and Clusters

Year:

1991

Language:

english

File:

PDF, 603 KB

english, 1991