UB Paderborn / Katalog / Suche / in CDI

Approximation Schemes to Include Nuclear Motion in Laser-Driven Ab Initio Electron Dynamics: Application to High Harmonic Generation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-07, Vol.127 (28), p.5942-5955

2023

Link zum Volltext

Verfügbarkeit prüfen

Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H 2

Journal of chemical theory and computation, 2021-12, Vol.17 (12), p.7353-7365

2021

Link zum Volltext

Verfügbarkeit prüfen

Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H2

Journal of chemical theory and computation, 2021-12, Vol.17 (12), p.7353-7365

2021

Link zum Volltext

Verfügbarkeit prüfen

Nonlocal STM Manipulation of Chlorobenzene on Si(111)‑7 × 7: Potentials, Kinetics, and First-Principles Molecular Dynamics Calculations for Open Systems

Journal of physical chemistry. C, 2021-06, Vol.125 (22), p.12175-12184

2021

Link zum Volltext

Verfügbarkeit prüfen

Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation

The Journal of chemical physics, 2008-08, Vol.129 (8), p.084302-084302-8

2008

Link zum Volltext

Verfügbarkeit prüfen

Theoretical chemistry and quantum dynamics at interfaces: Celebrating the career of Peter Saalfrank on the occasion of his 60th birthday

Chemical physics, 2022-06, Vol.558, p.111509, Article 111509

2022

Link zum Volltext

Verfügbarkeit prüfen

Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory

Physical chemistry chemical physics : PCCP, 2011-12, Vol.13 (48), p.21608-21614

2011

Link zum Volltext

Verfügbarkeit prüfen

Controlling the high frequency response of H{sub 2} by ultra-short tailored laser pulses: A time-dependent configuration interaction study

The Journal of chemical physics, 2016-01, Vol.144 (4)

2016

Link zum Volltext

Verfügbarkeit prüfen

Dipole switching in large molecules described by explicitly time-dependent configuration interaction

The Journal of chemical physics, 2008-06, Vol.128 (23), p.234307-234307-8

2008

Link zum Volltext

Verfügbarkeit prüfen

On the interaction of ascorbic acid and the tetrachlorocuprate ion [CuCl4]2― in CuCl nanoplatelet formation from an ionic liquid precursor (ILP)

Physical chemistry chemical physics : PCCP, 2011-08, Vol.13 (30), p.13537-13543

2011

Link zum Volltext

Verfügbarkeit prüfen

Dissipative many-electron dynamics of ionizing systems

The Journal of chemical physics, 2011-01, Vol.134 (4), p.044311-044311-10

2011

Link zum Volltext

Verfügbarkeit prüfen

Ultrafast multiexciton dynamics in molecular systems: Inclusion of exciton-exciton annihilation

Physical review. B, 2023-04, Vol.107 (13), Article 134301

2023

Link zum Volltext

Verfügbarkeit prüfen

Optimal control of ultrafast laser driven many-electron dynamicsin a polyatomic molecule: N -methyl-6-quinolone

The Journal of chemical physics, 2006-04, Vol.124 (14), p.144310-144310-8

Klamroth, Tillmann

2006

Link zum Volltext

Verfügbarkeit prüfen

Stereoselective isomerization of an ensemble of adsorbed moleculeswith multiple orientations: Stochastic laser pulse optimization for selective switching between achiral and chiral atropisomers

The Journal of chemical physics, 2008-12, Vol.129 (23), p.234701-234701-10

2008

Link zum Volltext

Verfügbarkeit prüfen

Laser Control for Coupled Torsions in Chiroptical Switches: A Combined Quantum and Classical Dynamics Approach

Journal of physical chemistry. C, 2014-01, Vol.118 (2), p.1322-1331

2014

Link zum Volltext

Verfügbarkeit prüfen

Quantum Chemical Cluster Models for Chemi- and Physisorption of Chlorobenzene on Si(111)-7×7

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-08, Vol.118 (33), p.6699-6704

2014

Link zum Volltext

Verfügbarkeit prüfen

Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c1cp22793a

2011-11

Link zum Volltext

Verfügbarkeit prüfen

Current versus temperature-induced switching of a single molecule: Open-system density matrix theory for 1,5-cyclooctadiene on Si(100)

The Journal of chemical physics, 2012-03, Vol.136 (9), p.094705-094705-13

2012

Link zum Volltext

Verfügbarkeit prüfen

Tetrahalidocuprates(ii) – structure and EPR spectroscopy. Part 2: tetrachloridocuprates(ii)

New journal of chemistry, 2014, Vol.38 (3), p.1019

2014

Link zum Volltext

Verfügbarkeit prüfen

Stochastic approach to laser-induced ultrafast dynamics: the desorption of H2/D2 from Ru(0001)

Physical chemistry chemical physics : PCCP, 2010-11, Vol.12 (42), p.1482-1494

2010

Link zum Volltext

Verfügbarkeit prüfen

On the Electronic Structure of Neutral and Ionic Azobenzenes and Their Possible Role as Surface Mounted Molecular Switches

The journal of physical chemistry. B, 2006-08, Vol.110 (33), p.16337-16345

2006

Link zum Volltext

Verfügbarkeit prüfen

Femtosecond-Laser Desorption of H 2 (D 2 ) from Ru(0001): Quantum and Classical Approaches

Journal of physical chemistry. C, 2009-05, Vol.113 (18), p.7790-7801

2009

Link zum Volltext

Verfügbarkeit prüfen

High Na+ and K+ -induced fluorescence enhancement of a π-conjugated phenylaza-18-crown-6-triazol-substituted coumarin fluoroionophore

Chemical communications (Cambridge, England), 2011-04, Vol.47 (16), p.4685-4687

2011

Link zum Volltext

Verfügbarkeit prüfen

Quantum dynamics, isotope effects, and power spectra of H 2 + and HD + excited to the continuum by strong one-cycle laser pulses: Three-dimensional non-Born-Oppenheimer simulations

Physical review. A, 2018-12, Vol.98 (6), Article 063431

2018

Link zum Volltext

Verfügbarkeit prüfen

Quantum Dynamical Simulations of the Femtosecond‐Laser‐Induced Ultrafast Desorption of H 2 and D 2 from Ru(0001)

Chemphyschem, 2013-05, Vol.14 (7), p.1471-1478

2013

Link zum Volltext

Verfügbarkeit prüfen

Menü

Weitere Dienste

Einstellungen

Approximation Schemes to Include Nuclear Motion in Laser-Driven Ab Initio Electron Dynamics: Application to High Harmonic Generation

Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H 2

Gaussian-Type Orbital Calculations for High Harmonic Generation in Vibrating Molecules: Benchmarks for H2

Nonlocal STM Manipulation of Chlorobenzene on Si(111)‑7 × 7: Potentials, Kinetics, and First-Principles Molecular Dynamics Calculations for Open Systems

Time-dependent configuration-interaction calculations of laser-driven dynamics in presence of dissipation

Theoretical chemistry and quantum dynamics at interfaces: Celebrating the career of Peter Saalfrank on the occasion of his 60th birthday

Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theory

Controlling the high frequency response of H{sub 2} by ultra-short tailored laser pulses: A time-dependent configuration interaction study

Dipole switching in large molecules described by explicitly time-dependent configuration interaction

On the interaction of ascorbic acid and the tetrachlorocuprate ion [CuCl4]2― in CuCl nanoplatelet formation from an ionic liquid precursor (ILP)

Dissipative many-electron dynamics of ionizing systems

Ultrafast multiexciton dynamics in molecular systems: Inclusion of exciton-exciton annihilation

Optimal control of ultrafast laser driven many-electron dynamicsin a polyatomic molecule: N -methyl-6-quinolone

Stereoselective isomerization of an ensemble of adsorbed moleculeswith multiple orientations: Stochastic laser pulse optimization for selective switching between achiral and chiral atropisomers

Laser Control for Coupled Torsions in Chiroptical Switches: A Combined Quantum and Classical Dynamics Approach

Quantum Chemical Cluster Models for Chemi- and Physisorption of Chlorobenzene on Si(111)-7×7

Optical absorption and excitonic coupling in azobenzenes forming self-assembled monolayers: a study based on density functional theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c1cp22793a

Current versus temperature-induced switching of a single molecule: Open-system density matrix theory for 1,5-cyclooctadiene on Si(100)

Tetrahalidocuprates(ii) – structure and EPR spectroscopy. Part 2: tetrachloridocuprates(ii)

Stochastic approach to laser-induced ultrafast dynamics: the desorption of H2/D2 from Ru(0001)

On the Electronic Structure of Neutral and Ionic Azobenzenes and Their Possible Role as Surface Mounted Molecular Switches

Femtosecond-Laser Desorption of H 2 (D 2 ) from Ru(0001): Quantum and Classical Approaches

High Na+ and K+ -induced fluorescence enhancement of a π-conjugated phenylaza-18-crown-6-triazol-substituted coumarin fluoroionophore

Quantum dynamics, isotope effects, and power spectra of H 2 + and HD + excited to the continuum by strong one-cycle laser pulses: Three-dimensional non-Born-Oppenheimer simulations

Quantum Dynamical Simulations of the Femtosecond‐Laser‐Induced Ultrafast Desorption of H 2 and D 2 from Ru(0001)

Suchergebnisse filtern