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- 2020
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Mark
pH dependence of aqueous oxalic acid observed by X-ray absorption and emission spectroscopy
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- Contribution to journal › Article
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Mark
Ultra-fast charge transfer between fullerenes and a gold surface, as prepared by electrospray deposition
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- Contribution to journal › Article
- 2018
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Adsorption of NO on Fe3O4(111)
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- Contribution to journal › Article
- 2017
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Mark
Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation
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- Contribution to journal › Article
- 2016
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Mark
Intermolecular exciton-exciton annihilation in phospholipid vesicles doped with [Ru(bpy)(2)dppz](2+)
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- Contribution to journal › Article
- 2014
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Mark
Tuning the oxidation degree in sub-10 nm silver-oxide nanoparticles: From Ag2O monoxide to AgOx(x > 1) superoxide
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- Contribution to journal › Article
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Mark
Relative rate study of the kinetic isotope effect in the (CH3D)-C-13 + Cl reaction
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- Contribution to journal › Article
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Mark
Improving photo-stability of conjugated polymer MEH-PPV embedded in solid matrices by purification of the matrix polymer
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- Contribution to journal › Article
- 2013
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Mark
Distinctive character of electronic and vibrational coherences in disordered molecular aggregates
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- Contribution to journal › Article
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Mark
Structure and dynamics of small water clusters, trapped in inert matrices
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- Contribution to journal › Article
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Mark
Probing substrate-induced perturbations on the band structure of graphene on Ni(111) by soft X-ray emission spectroscopy
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- Contribution to journal › Article
- 2012
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Mark
Ultrafast charge delocalization dynamics in aqueous electrolytes: New insights from Auger electron spectroscopy
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- Contribution to journal › Article
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Mark
Vibrational vs. electronic coherences in 2D spectrum of molecular systems
(
- Contribution to journal › Article
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Mark
Rate coefficients for the chemical reactions of CH2F2, CHClF2, CH2FCF3 and CH3CCl3 with O(D-1) at 298 K
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- Contribution to journal › Article
- 2011
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Mark
Wavelength-dependent photoproduct formation of phycocyanobilin in solution - Indications for competing reaction pathways
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- Contribution to journal › Article
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Mark
Carotenoid response to retinal excitation and photoisomerization dynamics in xanthorhodopsin
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- Contribution to journal › Article
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Mark
Inelastic neutron scattering of methyl tunnelling in isotopic mixtures of dibromomesitylene
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- Contribution to journal › Article
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Mark
Dynamics of extremely anisotropic etching of InP nanowires by HCl
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- Contribution to journal › Article
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Mark
A unified treatment of polar solvation using electrostatic fluctuations
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- Contribution to journal › Article
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Mark
Efficient infiltration of low molecular weight polymer in nanoporous TiO2
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- Contribution to journal › Article
- 2010
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Mark
Dynamics of charge separation in the excited-state chemistry of protochlorophyllide
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- Contribution to journal › Article
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Mark
Electronic structure and chemical bonding in W-2 molecule
(
- Contribution to journal › Article
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Mark
Kinetics of the reaction of Cl atoms with CHCl3 over the temperature range 253-313 K
(
- Contribution to journal › Article
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Mark
Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical: Structures, mechanisms, rates and temperature dependencies
(
- Contribution to journal › Article
- 2009
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Mark
Adiabatic connections and properties of coupling-integrated exchange-correlation holes and pair densities in density functional theory
(
- Contribution to journal › Article
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Mark
Assignment of the L2,3VV normal Auger decay spectrum of Cl-2 by ab initio calculations
(
- Contribution to journal › Article
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Mark
Analysing the chromium-chromium multiple bonds using multiconfigurational quantum chemistry
(
- Contribution to journal › Article
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Mark
Interplay of covalent bonding and correlation effects at molecule-metal contacts
(
- Contribution to journal › Article
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Mark
A CASSCF/CASPT2 approach to the decomposition of thiazole-substituted dioxetanone: Substitution effects and charge-transfer induced electron excitation
(
- Contribution to journal › Article
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Mark
On the coupling of intermolecular polarization and repulsion through pseudo-potentials
(
- Contribution to journal › Article
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Mark
Dark excited states of carotenoids: Consensus and controversy
(
- Contribution to journal › Article
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Mark
Atmospheric chemistry of cis-CF3CHCHF: Kinetics of reactions with OH radicals and O3 and products of OH radical initiated oxidation
(
- Contribution to journal › Article
- 2008
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Mark
The ozone ring closure as a test for multi-state multi-configurational second order perturbation theory (MS-CASPT2)
(
- Contribution to journal › Article
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Mark
Solvent effects on zero-point vibrational corrections to optical rotations and nuclear magnetic resonance shielding constants
(
- Contribution to journal › Article
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Mark
Three-pulse photon echo peak shift in optically dense samples
(
- Contribution to journal › Article
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Photoinduced interfacial electron injection in RuN3-TiO2 thin films: Resolving picosecond timescale injection from the triplet state of the protonated and deprotonated dyes
(
- Contribution to journal › Article
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Mark
Valence electronic structure of ruthenium based complexes probed by photoelectron spectroscopy at high kinetic energy (HIKE) and modeled by DFT calculations
(
- Contribution to journal › Article
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Mark
The influence of the sigma resonance on the Auger decay of core-ionized molecular nitrogen
(
- Contribution to journal › Article
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Mark
Solvent effects on the nitrogen NMR shielding and nuclear quadrupole coupling constants in 1-methyltriazoles
(
- Contribution to journal › Article
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Mark
The Douglas-Kroll-Hess electron density at an atomic nucleus
(
- Contribution to journal › Article
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Mark
On the excited-state multi-dimensionality in cyanines
(
- Contribution to journal › Article
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Mark
An electronic signature of hydrolysation in the X-ray absorption spectrum of aqueous formaldehyde
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- Contribution to journal › Article
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Mark
High resolution X-ray emission spectroscopy of liquid water : The observation of two structural motifs
(
- Contribution to journal › Article
- 2007
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Mark
Site selective dissociation upon core ionization of ozone
(
- Contribution to journal › Article
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Mark
The 5f(3) manifold of the free-ion U3+ : Ab initio calculations
(
- Contribution to journal › Article
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Mark
Coupled cluster calculations of interaction energies in benzene-fluorobenzene van der Waals complexes
(
- Contribution to journal › Article
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Mark
The role of molecular polarity in cluster local structure studied by photoelectron spectroscopy
(
- Contribution to journal › Article
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Mark
Non-perturbative calculation of 2D spectra in heterogeneous systems: Exciton relaxation in the FMO complex
(
- Contribution to journal › Article
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Mark
The charge capacity of the chemical bond
(
- Contribution to journal › Article
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Mark
Investigations of random pair densities and the application to the N-representability problem
(
- Contribution to journal › Article
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Mark
Gauge-origin independent magnetizabilities from hybrid quantum mechanics/molecular mechanics models: Theory and applications to liquid water
(
- Contribution to journal › Article
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Mark
Monolayer h-BN on lattice-mismatched metal surfaces: On the formation of the nanomesh
(
- Contribution to journal › Article
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Mark
Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
(
- Contribution to journal › Article
- 2006
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Mark
N-representable distance densities have positive Fourier transforms
(
- Contribution to journal › Article
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Mark
First observation of vibrations in core-level photoelectron spectra of free neutral molecular clusters
(
- Contribution to journal › Article
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Mark
Solvent induced control of energy transfer within Zn(II)-porphyrin dendrimers
(
- Contribution to journal › Article
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Mark
A theoretical study of singlet low-energy excited states of the benzene dimer
(
- Contribution to journal › Article
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Mark
The lowest-lying doublet electronic states of CoC - A theoretical study
(
- Contribution to journal › Article
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Mark
Characterization of N-representable n-particle densities when N is infinite
(
- Contribution to journal › Article
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Mark
Relations between N-representable n-particle densities
(
- Contribution to journal › Article
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Mark
Suppression of binding events via external perturbation with emphasis on QCM
(
- Contribution to journal › Article
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Mark
High resolution O 1s photoelectron shake-up satellite spectrum of H2O
(
- Contribution to journal › Article
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Mark
Combined quantum chemical statistical mechanical simulations of Mg2+, Ca2+ and Sr2+ in water
(
- Contribution to journal › Article
- 2005
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Mark
Mid-infrared polarization spectroscopy of polyatomic molecules: Detection of nascent CO2 and H2O in atmospheric pressure flames
(
- Contribution to journal › Article
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Mark
Direct ESR Evidence for SH2 Type Reaction of a Methyl Radical with Methylsilane and Methylgermane in a Low Temperature Solid: a Deuterium Labelling Study
(
- Contribution to journal › Letter
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Mark
Anchor Group Influence on Molecule-Metal Oxide Interfaces: Periodic Hybrid DFT Study of Pyridine Bound to TiO2 via Carboxylic and Phosphonic Acid
(
- Contribution to journal › Letter
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Mark
Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution
(
- Contribution to journal › Article
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Mark
Excited state properties of acceptor-substitute carotenoids: 2D and 3D real-space analysis
(
- Contribution to journal › Article
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Mark
Water adsorption on O-covered Ru {0001}: Coverage-dependent change from dissociation to molecular adsorption
(
- Contribution to journal › Article
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Mark
Large spectral diffusion of conjugated polymer single molecule fluorescence at low temperature
(
- Contribution to journal › Article
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Mark
New relativistic ANO basis sets for actinide atoms
(
- Contribution to journal › Article
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Mark
Energy transfer and conformational dynamics in Zn-porphyrin dendrimers
(
- Contribution to journal › Article
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Theoretical study of PbO and the PbO anion
(
- Contribution to journal › Article
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Mark
Intramolecular charge transfer in the porphyrin-oligothiophene-fullerene triad
(
- Contribution to journal › Article
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A molecule wired: Electrostatic investigation
(
- Contribution to journal › Article
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Mark
Intramolecular charge transfer and locally excited states of the fullerene-linked quarter-thiophenes dyad
(
- Contribution to journal › Article
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Mark
Intermolecular charge and energy transfer in neurosporene and chlorophyll a derivative complex
(
- Contribution to journal › Article
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Mark
Electric field induced quenching of the fluorescence of a conjugated polymer probed at the single molecule level
(
- Contribution to journal › Article
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Mark
Charge transfer state induced from locally excited state by polar solvent
(
- Contribution to journal › Article
- 2004
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Mark
Direct exciton quenching in single molecules of MEH-PPV at 77 K
(
- Contribution to journal › Article
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Mark
N-representability of two-electron densities and density matrices and the application to the few-body problem
(
- Contribution to journal › Article
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Mark
Pump-probe lifetime measurements on singlet ungerade states in molecular nitrogen
(
- Contribution to journal › Article
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Mark
Exploring the formation of carbon-based molecules, clusters and particles by in situ detection of scattered X-ray radiation
(
- Contribution to journal › Article
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A theoretical study of the bonding in trivalent americium complexes
(
- Contribution to journal › Article
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Mark
Molecular dynamics above the smectic A-isotropic phase transition of thermotropic liquid crystals studied by NMR
(
- Contribution to journal › Article
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Mark
A quantitative analysis of the N 1s ->pi* photoabsorption profile in N-2: new spectroscopical constants for the core-excited state
(
- Contribution to journal › Article
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Mark
Ultrafast singlet energy transfer competes with intersystem crossing in a multi-center transition metal polypyridine complex
(
- Contribution to journal › Article
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Mark
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
(
- Contribution to journal › Article
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Mark
Temperature effect on single chain MEH-PPV spectra
(
- Contribution to journal › Article
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Mark
Origin invariant calculation of optical rotation without recourse to London orbitals
(
- Contribution to journal › Article
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Mark
Application of an atomic relaxation model for the interpretation of O1s to Rydberg excited Auger electron spectra of molecular oxygen
(
- Contribution to journal › Article
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Mark
Polarizabilities of small annulenes from Cholesky CC2 linear response theory
(
- Contribution to journal › Article
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Mark
Controlling excitonic wavepacket motion in the PS1 core-antenna system
(
- Contribution to journal › Article
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Mark
A coupled cluster study of the oriented circular dichroism of the n ->pi* electronic transition in cyclopropanone and natural optical active related structures
(
- Contribution to journal › Article
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Mark
Radial surface segregation in free heterogeneous argon/krypton clusters
(
- Contribution to journal › Article
- 2003
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Mark
Resonant Auger spectroscopy in solid alkali nitrates as a probe of nuclear motion in the core-excited NO3- anion
(
- Contribution to journal › Article
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Mark
Evidence of ultra-fast dissociation in ammonia observed by resonant Auger electron spectroscopy
(
- Contribution to journal › Article
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Mark
Photodissociation of Bromobenzene in Solution.
(
- Contribution to journal › Article
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Mark
Valence photoionization and resonant core excitation of ozone - experimental and theoretical study of the (C)over-tilde-state of O-3(+)
(
- Contribution to journal › Article
-
Mark
The allyl radical revisited: A theoretical study of the electronic spectrum.
(
- Contribution to journal › Article
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Mark
Autoionisation of super excited states in N2 to the N2+ B state
(
- Contribution to journal › Letter
- 2002
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Mark
Li insertion in thin film anatase TiO2: identification of a two-phase regime with photoelectron spectroscopy
(
- Contribution to journal › Article
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Mark
Mapping potential energy surfaces by core electron excitation: the resonant Auger decay spectrum of BF3
(
- Contribution to journal › Article
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Mark
The dynamic Auger-Doppler effect in HF and DF: control of fragment velocities in femtosecond dissociation through photon energy detuning
(
- Contribution to journal › Article
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Mark
Dipole and quadrupole moments of liquid water calculated within the coupled cluster/molecular mechanics method
(
- Contribution to journal › Article
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Mark
Dynamics of vibrational relaxation in the S-1 state of carotenoids having 11 conjugated C=C bonds
(
- Contribution to journal › Article
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Mark
Collective excitation dynamics and polaron formation in molecular aggregates
(
- Contribution to journal › Article
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Mark
The restricted active space (RAS) state interaction approach with spin-orbit coupling
(
- Contribution to journal › Article
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Mark
Electronic Interactions at romatic-Metal Oxide Interfaces Calculated from First Principles
(
- Contribution to journal › Letter
- 2001
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Mark
High luminescence from a substituted polythiophene in a solvent with low solubility
(
- Contribution to journal › Article
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Mark
Non Franck-Condon effects in the photoionization of molecular oxygen to the O+ X 2II state in the 19-31 eV photon energy region
(
- Contribution to journal › Letter
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Mark
Non Franck-Condon effects in the photoionization of molecular nitrogen to the N+ A 2II state in the 19-34 eV photon energy region.
(
- Contribution to journal › Letter
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Mark
Dynamical suppression of atomic peaks in resonant dissociative photoemission
(
- Contribution to journal › Article
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Mark
Evidence for ultra-fast dissociation of molecular water from resonant Auger spectroscopy
(
- Contribution to journal › Article
- 2000
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Mark
Periodic Hartree-Fock Study of the Adsorption of Formic Acid on ZnO(10-10)
(
- Contribution to journal › Letter
- 1999
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Mark
Carbon nitride nanotubulite - densely-packed and well-aligned tubular nanostructures
(
- Contribution to journal › Article
- 1997
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Mark
Vibrational fine structure in the C 1s core level photoemission of chemisorbed molecules : Ethylene and ethylidyne on Rh(111)
(
- Contribution to journal › Article
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Mark
New insight into the optical properties of thin organic films by epitaxial preparation
(
- Contribution to journal › Article
- 1996
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Mark
Methane dynamics in the 36 Å mesopores of MCM-41 studied by neutron scattering
(
- Contribution to journal › Article
- 1995
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Mark
Autoionization Widths of the No Rydberg-valence State Complex In the 11-12 Ev Region
(
- Contribution to journal › Article
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Mark
RRKM studies of product branching in the NH+NO reaction
(
- Contribution to journal › Article
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Mark
A theoretical investigation of the two lowest potential energy surfaces for the reaction C(3P)+NO (2Π)
(
- Contribution to journal › Article
- 1994
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Mark
Ionization In Collisions Between Excited Sodium Dimers and Atoms
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- Contribution to journal › Article
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Mark
Differences in the Cs 4d and 5p surface and interface core-level shifts
(
- Contribution to journal › Article
- 1993
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Mark
Direct Determination of the Ionization-potential of Co By Resonantly Enhanced Multiphoton Ionization Mass-spectroscopy
(
- Contribution to journal › Article
- 1992
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Mark
Photoabsorption and the unoccupied partial density of states of chemisorbed molecules
(
- Contribution to journal › Article
- 1989
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Mark
Detection of carbon using amplified laser-induced fluorescence
(
- Contribution to journal › Article
- 1984
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Mark
Multiphoton ionization versus dissociation of diatomic molecules irradiated by an intense 40 ps laser pulse
(
- Contribution to journal › Article