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List of works by Serguei Patchkovskii

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

scientific article published on 15 December 2005

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

scientific article published in August 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

scientific article published in 2012

Attosecond recorder of the polarization state of light

scientific article published on 27 February 2018

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

scientific article published on 19 September 2016

C60Dimers: A Route to Endohedral Fullerene Compounds?

scientific article published in 1998

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

scientific article published on 06 June 2011

Channel- and angle-resolved above threshold ionization in the molecular frame

scientific article published on 11 January 2013

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

scientific article published in March 2006

Chiral dichroism in bi-elliptical high-order harmonic generation

scientific article published on 28 February 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

scientific article published in July 2005

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

scientific article published in May 2010

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

scientific article published on 11 June 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

scientific article published on 5 March 2007

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

scientific article published in October 2016

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

scientific article

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

scientific article published in July 2013

Graphene nanostructures as tunable storage media for molecular hydrogen

scientific article

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

scientific article published in January 2010

High harmonic generation and molecular orbital tomography in multielectron systems

scientific article

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

scientific article published on 22 September 2006

High harmonic interferometry of multi-electron dynamics in molecules

scientific article published on 22 July 2009

How Does Helium Get into Buckminsterfullerene?

scientific article published in 1996

Hydrogen Sieving and Storage in Fullerene Intercalated Graphite

scientific article

Imaging the Kramers–Henneberger atom ⬇️

scientific article published on September 19, 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.

scientific article

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

scientific article

Neutral-ionic state correlations in strong-field molecular ionization

scientific article published on 14 November 2012

Nucleus-Independent Chemical Shifts from Semiempirical Calculations

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

scientific article published on 01 October 2005

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

scientific article published on 13 October 2015

Primary processes underlying the photostability of isolated DNA bases: adenine

scholarly article

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

scientific article published on 16 September 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.

scientific article

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

scientific article published on 01 May 2018

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

scientific article

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

scientific article published in August 2007

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

scientific article

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

scientific article

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

scientific article

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

scientific article

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

scientific article published in February 2005

Thermodynamic stability of hydrogen clathrates

scientific article (publication date: 9 December 2003)

Time-resolved dynamics in N2O4 probed using high harmonic generation

scientific article

Tunnel Ionization of Molecules and Orbital Imaging ⬇️

scientific article published on April 28, 2011

When does an electron exit a tunneling barrier?

scientific article published in 2012

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