List of works by Roland Mitric

Absorption Enhancement and Conformational Control of Peptides by Small Silver Clusters

scientific article published in Physical Review Letters

BLUF hydrogen network dynamics and UV/Vis spectra: a combined molecular dynamics and quantum chemical study.

scientific article published on 5 July 2012

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

article

Collective Response in DNA-Stabilized Silver Cluster Assemblies from First-Principles Simulations

scientific article published on 09 December 2019

Composition dependent adsorption of multiple CO molecules on binary silver-gold clusters Ag(n)Au(m)+ (n + m = 5): theory and experiment

scientific article published on 17 March 2010

Correction: Size and shape dependent photoluminescence and excited state decay rates of diamondoids

scientific article

Davydov-type excitonic effects on the absorption spectra of parallel-stacked and herringbone aggregates of pentacene: Time-dependent density-functional theory and time-dependent density-functional tight binding

scientific article published on 01 October 2018

Deciphering environment effects in peptide bond solvation dynamics by experiment and theory.

scientific article published on 15 August 2017

Different approaches for the calculation of electronic excited states of nonstoichiometric alkali halide clusters: The example of Na3F

scientific article published on 01 November 2004

Disentangling the photochemistry of benzocyclobutenedione

scientific article published on 01 June 2018

Doubly charged silver clusters stabilized by tryptophan: Ag4(2+) as an optical marker for monitoring particle growth.

scientific article published on 22 December 2010

Dynamics of Isolated 1,8-Naphthalimide and N-Methyl-1,8-naphthalimide: An Experimental and Computational Study

scientific article published on 25 March 2016

Electronic coherence within the semiclassical field-induced surface hopping method: strong field quantum control in K2

scientific article published on 09 May 2012

Energy Transfer Between Squaraine Polymer Sections: From Helix to Zigzag and All the Way Back.

scientific article

Excitation energy transport in DNA modelled by multi-chromophoric field-induced surface hopping

scientific article published on 09 June 2020

Excited state dynamics and time-resolved photoelectron spectroscopy of para-xylylene

scientific article published on 01 December 2018

Excited state nonadiabatic dynamics of bare and hydrated anionic gold clusters Au3(-)[H2O]n (n = 0-2).

scientific article published on 19 October 2015

Excited states from quantum Monte Carlo in the basis of Slater determinants.

scientific article published in November 2014

Exciton localization in excited-state dynamics of a tetracene trimer: a surface hopping LC-TDDFTB study

article

Excitonic Properties of Ordered Metal Nanocluster Arrays: 2D Silver Clusters at Multiporphyrin Templates.

scientific article published on 23 June 2016

Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening

scientific article published on 11 March 2019

Experimental and theoretical study of the absorption properties of thiolated diamondoids.

scientific article

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

scientific article

Exploring the Excited-State Dynamics of Hydrocarbon Radicals, Biradicals, and Carbenes Using Time-Resolved Photoelectron Spectroscopy and Field-Induced Surface Hopping Simulations

scientific article published on 23 September 2019

Exploring ultrafast dynamics of pyrazine by time-resolved photoelectron imaging.

scientific article published on 26 June 2014

Femtosecond dynamics of the 2-methylallyl radical: A computational and experimental study.

scientific article

Femtosecond time-resolved geometry relaxation and ultrafast intramolecular energy redistribution in Ag2Au.

scientific article published in February 2005

Femtosecond time-resolved photoelectron spectroscopy of the benzyl radical

scientific article published on 28 April 2017

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

scientific article published on 11 April 2011

Gas-phase synthesis and intense visible absorption of tryptophan-gold cations.

scientific article published in January 2009

How shaped light discriminates nearly identical biochromophores.

scientific article published on 12 August 2010

Influence of charge state on catalytic oxidation reactions at metal oxide clusters containing radical oxygen centers

scientific article published on 01 April 2009

Influence of charge state on the mechanism of CO oxidation on gold clusters.

scientific article published on 16 January 2008

Isolation of diborenes and their 90°-twisted diradical congeners.

scientific article

Joint experimental and theoretical investigations of the reactivity of Au2O-(n) and Au3O-(n) (n=1-5) with carbon monoxide

scientific article published on 01 November 2006

Kinetic analysis of the reaction between (V2O5)n=1,2+ and ethylene.

scientific article published in February 2006

Laser-induced fluorescence of free diamondoid molecules.

scientific article published on February 2015

Long-range correction for tight-binding TD-DFT. ⬇️

scientific article

Modification of the secondary structure of angiotensin II by substitution of hydrogen with Cs cations: an experimental and theoretical study.

scientific article published on 10 January 2012

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states ⬇️

scientific article published in June 2016

Nonadiabatic dynamics and simulation of time resolved photoelectron spectra within time-dependent density functional theory: Ultrafast photoswitching in benzylideneaniline.

scientific article

Nonlinear absorption dynamics using field-induced surface hopping: zinc porphyrin in water.

scientific article

Oxygen adsorption on hydrated gold cluster anions: experiment and theory.

scientific article

Photochemical Chiral Symmetry Breaking in Alanine.

scientific article published on 25 October 2016

Photodissociation dynamics of propargylene, HCCCH.

scientific article

Photodynamics of free and solvated tyrosine.

scientific article

Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function

scientific article published on 01 February 2020

Reactivity of atomic gold anions toward oxygen and the oxidation of CO: experiment and theory

scientific article published on 01 March 2004

Silver cluster–biomolecule hybrids: from basics towards sensors

scientific article published on 13 March 2012

Single water solvation dynamics in the 4-aminobenzonitrile-water cluster cation revealed by picosecond time-resolved infrared spectroscopy.

scientific article published on 22 October 2015

Site-dependence of van der Waals interaction explains exciton spectra of double-walled tubular J-aggregates ⬇️

scientific article published on 01 March 2015

Size Dependence of Non-Radiative Decay Rates in J-Aggregates

scientific article published on 27 November 2020

Size and shape dependent photoluminescence and excited state decay rates of diamondoids.

scientific article published on 7 January 2014

Solvation dynamics of a single water molecule probed by infrared spectra--theory meets experiment.

scientific article published on 27 November 2014

Speciation of copper-peptide complexes in water solution using DFTB and DFT approaches: case of the [Cu(HGGG)(Py)] complex

scientific article published on 23 May 2012

Spectroscopy of isolated, mass-selected tryptophan-Ag3 complexes: A model for photoabsorption enhancement in nanoparticle-biomolecule hybrid systems

article

Stoichiometric zirconium oxide cations as potential building blocks for cluster assembled catalysts

scientific article published on 24 September 2008

Structural and photochemical properties of organosilver reactive intermediates MeAg2(+) and PhAg2(+).

scientific article

Synthesis and Spectroscopic Characterization of Diphenylargentate, [(C6H5)2Ag]−

scientific article published on 23 April 2012

Synthesis, characterization and optical properties of low nuclearity liganded silver clusters: Ag31(SG)19 and Ag15(SG)11.

scientific article published in June 2013

Tetraiododiborane(4) (B2 I4 ) is a Polymer Based on sp3 Boron in the Solid State

scientific article published on 30 January 2020

The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer

scientific article published on 6 September 2017

The nature of electronic excitations at the metal-bioorganic interface illustrated on histidine-silver hybrids

scientific article published on 2 December 2013

The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes

scientific article published on 04 December 2019

The structures of vanadium oxide cluster-ethene complexes. A combined IR multiple photon dissociation spectroscopy and DFT calculation study

scientific article published on 01 December 2003

Theoretical and experimental consideration of the reactions between VxOy+ and ethylene

scientific article published on 01 May 2003

Theoretical exploration of ultrafast dynamics in atomic clusters: analysis and control.

scientific article

Theoretical study of structural and optical properties of noble metal cluster-dipeptide hybrids at defect centers of MgO.

scientific article published on 25 January 2012

Time- and Angle-Resolved Photoemission Spectroscopy of Hydrated Electrons Near a Liquid Water Surface

scientific article published in Physical Review Letters

Time-Resolved Study of 1,8-Naphthalic Anhydride and 1,4,5,8-Naphthalene-tetracarboxylic Dianhydride

scientific article published on 23 February 2015

Time-resolved femtosecond photoelectron spectroscopy by field-induced surface hopping.

scientific article

Time-resolved photoelectron imaging spectra from non-adiabatic molecular dynamics simulations.

scientific article published in October 2013

Tuning cluster reactivity by charge state and composition: experimental and theoretical investigation of CO binding energies to Ag(n)Au(m)(+/-) (n + m = 3)

scientific article published on 10 January 2011

Ultrafast Photodynamics of Glucose.

scientific article published on 6 December 2017

Ultrafast dynamics in atomic clusters: analysis and control

scientific article

Ultrafast excited state dynamics of the Na3F cluster: quantum wave packet and classical trajectory calculations compared to experimental results

scientific article published on 01 November 2004

Vibrationally resolved optical spectra and ultrafast electronic relaxation dynamics of diamantane

scientific article published on 01 March 2016

metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics

scientific article published on 29 April 2019

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