UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Einfacher Volltextzugriff von (fast) überall

Installieren Sie die LibKey Nomad-Browsererweiterung und erhalten Sie von vielen Webseiten einfachen Zugriff auf lizenzierte Volltexte oder Open Access Publikationen. Mehr erfahren...

PSIXAS: A Psi4 plugin for efficient simulations of X‐ray absorption spectra based on the transition‐potential and Δ‐Kohn–Sham method

Journal of computational chemistry, 2020-07, Vol.41 (19), p.1781-1789

2020

Volltextzugriff (PDF)

Many-electron dynamics in laser-driven molecules: wavefunction theory vs. density functional theory

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (24), p.13544-13560

2021

Volltextzugriff (PDF)

Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics

The Journal of chemical physics, 2011-02, Vol.134 (5), p.054113-054113-8

2011

Volltextzugriff (PDF)

Optical response and multi-exciton effects in 2D PTCDA aggregates with local excitation

Physical chemistry chemical physics : PCCP, 2023-09, Vol.25 (35), p.23548-23554

2023

Volltextzugriff (PDF)

Discriminating organic isomers by high harmonic generation: A time-dependent configuration interaction singles study

The Journal of chemical physics, 2019-06, Vol.150 (23), p.234114-234114

2019

Volltextzugriff (PDF)

Desorption induced by low energy charge carriers on Si(111)‐7 × 7: First principles molecular dynamics for benzene derivates

Journal of computational chemistry, 2018-11, Vol.39 (30), p.2517-2525

2018

Volltextzugriff (PDF)

Counterion effects on the mesomorphic and electrochemical properties of guanidinium salts

Physical chemistry chemical physics : PCCP, 2024-04, Vol.26 (15), p.11988-122

2024

Volltextzugriff (PDF)

Delocalized spin states at zigzag termini of armchair graphene nanoribbon

Scientific reports, 2024-05, Vol.14 (1), p.11641-11641, Article 11641

2024

Volltextzugriff (PDF)

Controlling the high frequency response of H2 by ultra-short tailored laser pulses: A time-dependent configuration interaction study

The Journal of chemical physics, 2016-01, Vol.144 (4), p.044301-044301

2016

Volltextzugriff (PDF)

Local work function on graphene nanoribbons

Beilstein journal of nanotechnology, 2024-08, Vol.15 (1), p.1125-1131

2024

Volltextzugriff (PDF)

Tetrahalidometallate(II) Ionic Liquids with More than One Metal: The Effect of Bromide versus Chloride

Chemistry : a European journal, 2022-11, Vol.28 (64), p.e202201068-n/a

2022

Volltextzugriff (PDF)

Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model

Physical review. B, Condensed matter, 2003-12, Vol.68 (24), Article 245421

Klamroth, Tillmann

2003

Volltextzugriff (PDF)

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

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

Klamroth, Tillmann

2006

Volltextzugriff (PDF)

Molecular response properties from explicitly time-dependent configuration interaction methods

The Journal of chemical physics, 2007-07, Vol.127 (3), p.034107-034107-10

2007

Volltextzugriff (PDF)

Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory

The Journal of chemical physics, 2009-09, Vol.131 (11), p.114304-114304-8

2009

Volltextzugriff (PDF)

Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide

The Journal of chemical physics, 2005-08, Vol.123 (7), p.074105-074105-7

2005

Volltextzugriff (PDF)

Electronic structure changes during the surface-assisted formation of a graphene nanoribbon

The Journal of chemical physics, 2014-01, Vol.140 (2), p.024701-024701

2014

Volltextzugriff (PDF)

Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

Physical chemistry chemical physics : PCCP, 2011-05, Vol.13 (19), p.8659-8670

2011

Volltextzugriff (PDF)

Long-range intermolecular charge transfer induced by laser pulses: an explicitly time-dependent configuration interaction approach

Physical chemistry chemical physics : PCCP, 2009-01, Vol.11 (20), p.3875-3884

2009

Volltextzugriff (PDF)

The quest for best suited references for configuration interaction singles calculations of core excited states

Journal of computational chemistry, 2017-01, Vol.38 (2), p.116-126

2017

Volltextzugriff (PDF)

Photoisomerization Ability of Molecular Switches Adsorbed on Au(111): Comparison between Azobenzene and Stilbene Derivatives

Journal of physical chemistry. C, 2010-01, Vol.114 (2), p.1231-1239

2010

Volltextzugriff (PDF)

Current versus Temperature-Induced Switching in a Single-Molecule Tunnel Junction: 1,5 Cyclooctadiene on Si(001)

Nano letters, 2009-08, Vol.9 (8), p.2996-3000

2009

Volltextzugriff (PDF)

Open-system density matrix description of an STM-driven atomic switch: H on Si(100)

Applied physics. A, Materials science & processing, 2008-11, Vol.93 (2), p.319-333

2008

Volltextzugriff (PDF)

Local resonances in STM manipulation of chlorobenzene on Si(111)-7×7: performance of different cluster models and density functionals

Molecular physics, 2018-07, Vol.116 (13), p.1687-1696

2018

Volltextzugriff (PDF)

Many-electron dynamics in laser-driven molecules: wavefunction theory density functional theory

Physical chemistry chemical physics : PCCP, 2021-06, Vol.23 (24), p.13544-1356

2021

Volltextzugriff (PDF)

1 – 25 von 93

Suche als RSS-Feed

Aktive Filter

Nur zeigenMit Volltextzugriff

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(87)

Publikationsform

Artikel
(91)
Buchkapitel
(2)

Sprache

Englisch
(90)

Erscheinungsjahr

n.n

Neu hinzugefügt

... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

PSIXAS: A Psi4 plugin for efficient simulations of X‐ray absorption spectra based on the transition‐potential and Δ‐Kohn–Sham method

Many-electron dynamics in laser-driven molecules: wavefunction theory vs. density functional theory

Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics

Optical response and multi-exciton effects in 2D PTCDA aggregates with local excitation

Discriminating organic isomers by high harmonic generation: A time-dependent configuration interaction singles study

Desorption induced by low energy charge carriers on Si(111)‐7 × 7: First principles molecular dynamics for benzene derivates

Counterion effects on the mesomorphic and electrochemical properties of guanidinium salts

Delocalized spin states at zigzag termini of armchair graphene nanoribbon

Controlling the high frequency response of H2 by ultra-short tailored laser pulses: A time-dependent configuration interaction study

Local work function on graphene nanoribbons

Tetrahalidometallate(II) Ionic Liquids with More than One Metal: The Effect of Bromide versus Chloride

Laser-driven electron transfer through metal-insulator-metal contacts: Time-dependent configuration interaction singles calculations for a jellium model

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

Molecular response properties from explicitly time-dependent configuration interaction methods

Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory

Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics: Controlled dipole switching in lithium cyanide

Electronic structure changes during the surface-assisted formation of a graphene nanoribbon

Dissipative dynamics within the electronic friction approach: the femtosecond laser desorption of H2/D2 from Ru(0001)

Long-range intermolecular charge transfer induced by laser pulses: an explicitly time-dependent configuration interaction approach

The quest for best suited references for configuration interaction singles calculations of core excited states

Photoisomerization Ability of Molecular Switches Adsorbed on Au(111): Comparison between Azobenzene and Stilbene Derivatives

Current versus Temperature-Induced Switching in a Single-Molecule Tunnel Junction: 1,5 Cyclooctadiene on Si(001)

Open-system density matrix description of an STM-driven atomic switch: H on Si(100)

Local resonances in STM manipulation of chlorobenzene on Si(111)-7×7: performance of different cluster models and density functionals

Many-electron dynamics in laser-driven molecules: wavefunction theory density functional theory

Aktive Filter

Suchergebnisse filtern