Lista de obras -

Ab initio investigation of potential energy curves of the 23 electronic states of IBr correlating to neutral (2)P atoms

artículo científico publicado en 2005

Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

artículo científico publicado en 2005

An Efficienta PosterioriTreatment for Dispersion Interaction in Density-Functional-Based Tight Binding

scientific article published on 01 September 2005

Attosecond control of electron correlations in one-photon ionization and recombination

artículo científico publicado en 2012

Attosecond recorder of the polarization state of light

artículo científico publicado en 2018

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics.

artículo científico publicado en 2016

C60Dimers: A Route to Endohedral Fullerene Compounds?

artículo científico publicado en 1998

Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory

artículo científico publicado en 2011

Channel- and Angle-Resolved Above Threshold Ionization in the Molecular Frame ⬇️

artículo científico publicado el 11 de enero de 2013

Chemical bonding, electron-phonon coupling, and structural transformations in high-pressure phases of Si.

artículo científico publicado en 2006

Chiral dichroism in bi-elliptical high-order harmonic generation

artículo científico publicado en 2018

Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules

Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes: The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation Kernel

artículo científico publicado en 2005

Do [all]-S,S'-dioxide oligothiophenes show electronic and optical properties of oligoenes and/or of oligothiophenes?

artículo científico publicado en 2010

Electron correlations and pre-collision in the re-collision picture of high harmonic generation

artículo científico publicado en 2018

Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene

Evaluation of the adsorption free energy of light guest molecules in nanoporous host structures

artículo científico publicado en 2007

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

artículo científico publicado en 2016

Excited state dynamics in SO2. I. Bound state relaxation studied by time-resolved photoelectron-photoion coincidence spectroscopy.

artículo científico publicado en 2014

Grand-canonical quantized liquid density-functional theory in a Car-Parrinello implementation

artículo científico publicado en 2013

Graphene nanostructures as tunable storage media for molecular hydrogen

artículo científico publicado en 2005

High field (33)S solid state NMR and first-principles calculations in potassium sulfates.

artículo científico publicado en 2010

High harmonic generation and molecular orbital tomography in multielectron systems

artículo científico publicado en 2007

High harmonic generation and molecular orbital tomography in multielectron systems: beyond the single active electron approximation

artículo científico publicado en 2006

High harmonic interferometry of multi-electron dynamics in molecules

artículo científico publicado en 2009

How Does Helium Get into Buckminsterfullerene?

scientific article published in 1996

Hydrogen Sieving and Storage in Fullerene Intercalated Graphite

artículo científico publicado en 2007

Imaging the Kramers–Henneberger atom ⬇️

artículo científico publicado el 19 de septiembre de 2011

Interaction energies and NMR chemical shifts of noble gases in C60

article by Michael Bühl et al published August 1997 in Chemical Physics Letters

Mechanisms of two-color laser-induced field-free molecular orientation

scientific article published on 12 September 2012

Molecular orbital imprint in laser-driven electron recollision.

artículo científico publicado en 2018

Multidimensional high harmonic spectroscopy of polyatomic molecules: detecting sub-cycle laser-driven hole dynamics upon ionization in strong mid-IR laser fields.

artículo científico publicado en 2016

Neutral-Ionic State Correlations in Strong-Field Molecular Ionization ⬇️

artículo científico publicado el 14 de noviembre de 2012

Nucleus-Independent Chemical Shifts from Semiempirical Calculations

On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases

artículo científico publicado en 2005

Opportunities for chiral discrimination using high harmonic generation in tailored laser fields ⬇️

artículo científico publicado en 2015

Primary processes underlying the photostability of isolated DNA bases: adenine

artículo científico publicado en 2006

Quantized liquid density-functional theory for hydrogen adsorption in nanoporous materials

artículo científico publicado en 2009

Quantum and classical equilibrium properties for exactly solvable models of weakly interacting systems

Radical Impurity Mechanisms for Helium Incorporation into Buckminsterfullerene

scholarly article by Serguei Patchkovskii & Walter Thiel published 24 March 1997 in Helvetica Chimica Acta

Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet-to-Triplet Intersystem Crossing in an Extended Viologen

scientific article published on 01 January 2008

Resolving the time when an electron exits a tunnelling barrier.

artículo científico publicado en 2012

Sequential and direct ionic excitation in the strong-field ionization of 1-butene molecules

artículo científico publicado en 2018

Short-time dynamics at a conical intersection in high-harmonic spectroscopy

artículo científico publicado en 2014

Static and dynamic second hyperpolarizability calculated by time-dependent density functional cubic response theory with local contribution and natural bond orbital analysis

artículo científico publicado en 2007

Strong-field control and spectroscopy of attosecond electron-hole dynamics in molecules

artículo científico publicado en 2009

Strong-field ionization of clusters using two-cycle pulses at 1.8 μm

artículo científico publicado en 2016

Structure and Dynamics of β-Cyclodextrin in Aqueous Solution at the Density-Functional Tight Binding Level†

article

Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

The multielectron ionization dynamics underlying attosecond strong-field spectroscopies

artículo científico publicado en 2012

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

artículo científico publicado en 2004

Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH3.

artículo científico publicado en 2005

Thermodynamic stability of hydrogen clathrates

artículo científico publicado en 2003

Time-resolved dynamics in N2O4 probed using high harmonic generation

artículo científico publicado en 2008

Tunnel Ionization of Molecules and Orbital Imaging ⬇️

artículo científico publicado el 28 de abril de 2011

When does an electron exit a tunneling barrier?

artículo científico publicado en 2012

Lista de obras de

Ab initio investigation of potential energy curves of the 23 electronic states of IBr correlating to neutral (2)P atoms

Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

An Efficienta PosterioriTreatment for Dispersion Interaction in Density-Functional-Based Tight Binding

Attosecond control of electron correlations in one-photon ionization and recombination

Attosecond recorder of the polarization state of light

Beyond structure: ultrafast X-ray absorption spectroscopy as a probe of non-adiabatic wavepacket dynamics.

C60Dimers: A Route to Endohedral Fullerene Compounds?

Calculation of Hyperfine Tensors and Paramagnetic NMR Shifts Using the Relativistic Zeroth-Order Regular Approximation and Density Functional Theory

Channel- and Angle-Resolved Above Threshold Ionization in the Molecular Frame ⬇️

Chemical bonding, electron-phonon coupling, and structural transformations in high-pressure phases of Si.

Chiral dichroism in bi-elliptical high-order harmonic generation

Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules

Density Functional Study of H-D Coupling Constants in Heavy Metal Dihydrogen and Dihydride Complexes: The Role of Geometry, Spin-Orbit Coupling, and Gradient Corrections in the Exchange-Correlation Kernel

Do [all]-S,S'-dioxide oligothiophenes show electronic and optical properties of oligoenes and/or of oligothiophenes?

Electron correlations and pre-collision in the re-collision picture of high harmonic generation

Electronic structures, geometries, and energetics of highly charged cations of the C60 fullerene

Evaluation of the adsorption free energy of light guest molecules in nanoporous host structures

Excited state X-ray absorption spectroscopy: Probing both electronic and structural dynamics

Excited state dynamics in SO2. I. Bound state relaxation studied by time-resolved photoelectron-photoion coincidence spectroscopy.

Grand-canonical quantized liquid density-functional theory in a Car-Parrinello implementation

Graphene nanostructures as tunable storage media for molecular hydrogen

High field (33)S solid state NMR and first-principles calculations in potassium sulfates.

High harmonic generation and molecular orbital tomography in multielectron systems

High harmonic generation and molecular orbital tomography in multielectron systems: beyond the single active electron approximation

High harmonic interferometry of multi-electron dynamics in molecules

How Does Helium Get into Buckminsterfullerene?

Hydrogen Sieving and Storage in Fullerene Intercalated Graphite

Imaging the Kramers–Henneberger atom ⬇️

Interaction energies and NMR chemical shifts of noble gases in C60

Mechanisms of two-color laser-induced field-free molecular orientation

Molecular orbital imprint in laser-driven electron recollision.

Multidimensional high harmonic spectroscopy of polyatomic molecules: detecting sub-cycle laser-driven hole dynamics upon ionization in strong mid-IR laser fields.

Neutral-Ionic State Correlations in Strong-Field Molecular Ionization ⬇️

Nucleus-Independent Chemical Shifts from Semiempirical Calculations

On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases

Opportunities for chiral discrimination using high harmonic generation in tailored laser fields ⬇️

Primary processes underlying the photostability of isolated DNA bases: adenine

Quantized liquid density-functional theory for hydrogen adsorption in nanoporous materials

Quantum and classical equilibrium properties for exactly solvable models of weakly interacting systems

Radical Impurity Mechanisms for Helium Incorporation into Buckminsterfullerene

Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet-to-Triplet Intersystem Crossing in an Extended Viologen

Resolving the time when an electron exits a tunnelling barrier.

Sequential and direct ionic excitation in the strong-field ionization of 1-butene molecules

Short-time dynamics at a conical intersection in high-harmonic spectroscopy

Static and dynamic second hyperpolarizability calculated by time-dependent density functional cubic response theory with local contribution and natural bond orbital analysis

Strong-field control and spectroscopy of attosecond electron-hole dynamics in molecules

Strong-field ionization of clusters using two-cycle pulses at 1.8 μm

Structure and Dynamics of β-Cyclodextrin in Aqueous Solution at the Density-Functional Tight Binding Level†

Sub-laser-cycle control of coupled electron–nuclear dynamics at a conical intersection

The multielectron ionization dynamics underlying attosecond strong-field spectroscopies

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

Theoretical evidence for the formation of rotational energy level clusters in the vibrational ground state of PH3.

Thermodynamic stability of hydrogen clathrates

Time-resolved dynamics in N2O4 probed using high harmonic generation

Tunnel Ionization of Molecules and Orbital Imaging ⬇️

When does an electron exit a tunneling barrier?