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...

Intramolecular vibrational redistribution in formic acid and its deuterated forms

The Journal of chemical physics, 2022-07, Vol.157 (1), p.014306-014306

2022

Volltextzugriff (PDF)

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

Physics reports, 2009-11, Vol.484 (1), p.1-69

2009

Volltextzugriff (PDF)

Full-dimensional quantum mechanical calculations of the reaction probability of the H + CH4 reaction based on a mixed Jacobi and Radau description

The Journal of chemical physics, 2020-05, Vol.152 (20), p.201101-201101

2020

Volltextzugriff (PDF)

The coupling of the hydrated proton to its first solvation shell

Nature communications, 2022-10, Vol.13 (1), p.6170-9, Article 6170

2022

Volltextzugriff (PDF)

Stochastic multi-configuration time-dependent Hartree for dissipative quantum dynamics with strong intramolecular coupling

The Journal of chemical physics, 2022-10, Vol.157 (14), p.144105-144105

2022

Volltextzugriff (PDF)

Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains

The Journal of chemical physics, 2021-05, Vol.154 (17), p.174106-174106

2021

Volltextzugriff (PDF)

State-to-state inelastic rotational cross sections in five-atom systems with the multiconfiguration time dependent Hartree method

The Journal of chemical physics, 2019-10, Vol.151 (13), p.134301-134301

2019

Volltextzugriff (PDF)

Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions

The Journal of chemical physics, 2021-02, Vol.154 (7), p.074301-074301

2021

Volltextzugriff (PDF)

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

The Journal of chemical physics, 2007-11, Vol.127 (18), p.184303-184303

2007

Volltextzugriff (PDF)

Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description

The Journal of chemical physics, 2019-05, Vol.150 (20), p.204301-204301

2019

Volltextzugriff (PDF)

Multidimensional stochastic dissipative quantum dynamics using a Lindblad operator

The Journal of chemical physics, 2022-03, Vol.156 (9), p.094109-094109

2022

Volltextzugriff (PDF)

Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR)

The Journal of chemical physics, 2023-03, Vol.158 (11), p.114109-114109

2023

Volltextzugriff (PDF)

Erratum: “Quantum and classical molecular dynamics for H atom scattering from graphene” [J. Chem. Phys. 159, 194102 (2023)]

The Journal of chemical physics, 2024-08, Vol.161 (5)

2024

Volltextzugriff (PDF)

Quantum and classical molecular dynamics for H atom scattering from graphene

The Journal of chemical physics, 2023-11, Vol.159 (19)

2023

Volltextzugriff (PDF)

On the sum-of-products to product-of-sums transformation between analytical low-rank approximations in finite basis representation

The European physical journal. ST, Special topics, 2023-09, Vol.232 (12), p.1897-1904

2023

Volltextzugriff (PDF)

Theoretical investigation of the H + HD → D + H2 chemical reaction for astrophysical applications: A state-to-state quasi-classical study

The Journal of chemical physics, 2020-08, Vol.153 (8), p.081102-081102

2020

Volltextzugriff (PDF)

Dynamics and Infrared Spectroscopy of the Protonated Water Dimer

Angewandte Chemie (International ed.), 2007-01, Vol.46 (36), p.6918-6921

2007

Volltextzugriff (PDF)

Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues

The Journal of chemical physics, 2009-07, Vol.131 (3), p.034308-034308

2009

Volltextzugriff (PDF)

Full-dimensional control of the radiationless decay in pyrazine using the dynamic Stark effect

The Journal of chemical physics, 2014-10, Vol.141 (13), p.134114-134114

2014

Volltextzugriff (PDF)

Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach

The Journal of chemical physics, 2014-09, Vol.141 (11), p.114101-558

2014

Volltextzugriff (PDF)

Quantum dynamics of the photostability of pyrazine

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (44), p.29518-29530

2015

Volltextzugriff (PDF)

Laser control of the radiationless decay in pyrazine using the dynamic Stark effect

The Journal of chemical physics, 2014-05, Vol.140 (19), p.194309-194309

2014

Volltextzugriff (PDF)

Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state

The Journal of chemical physics, 2007-11, Vol.127 (18), p.184302-184302

2007

Volltextzugriff (PDF)

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane

The Journal of chemical physics, 2016-05, Vol.144 (20), p.204302-204302

2016

Volltextzugriff (PDF)

Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation

Angewandte Chemie (International ed.), 2009-01, Vol.48 (2), p.352-355

2009

Volltextzugriff (PDF)

1 – 25 von 242

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(182)
Mit Volltextzugriff
(234)

Publikationsform

Sprache

Englisch
(229)
Deutsch
(2)

Erscheinungsjahr

n.n

Thema

Science & Technology
(136)
Physical Sciences
(126)
Chemistry
(116)
Chemical Sciences
(115)
Physics
(112)
Or Physical Chemistry
(102)
Theoretical And
(102)
Chemistry, Physical
(88)
Physics, Atomic, Molecular & Chemical
(88)
Quantum Physics
(25)
Quantum & Theoretical Chemistry
(19)
Chemistry, Multidisciplinary
(17)
Potential Energy
(15)
Quantum Theory
(14)
Mathematical Analysis
(13)
Time Dependence
(13)
Coupling
(12)
Quantum Dynamics
(12)
Mctdh
(11)
Computer Simulation
(10)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Intramolecular vibrational redistribution in formic acid and its deuterated forms

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

Full-dimensional quantum mechanical calculations of the reaction probability of the H + CH4 reaction based on a mixed Jacobi and Radau description

The coupling of the hydrated proton to its first solvation shell

Stochastic multi-configuration time-dependent Hartree for dissipative quantum dynamics with strong intramolecular coupling

Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains

State-to-state inelastic rotational cross sections in five-atom systems with the multiconfiguration time dependent Hartree method

Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions

Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics

Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description

Multidimensional stochastic dissipative quantum dynamics using a Lindblad operator

Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR)

Erratum: “Quantum and classical molecular dynamics for H atom scattering from graphene” [J. Chem. Phys. 159, 194102 (2023)]

Quantum and classical molecular dynamics for H atom scattering from graphene

On the sum-of-products to product-of-sums transformation between analytical low-rank approximations in finite basis representation

Theoretical investigation of the H + HD → D + H2 chemical reaction for astrophysical applications: A state-to-state quasi-classical study

Dynamics and Infrared Spectroscopy of the Protonated Water Dimer

Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues

Full-dimensional control of the radiationless decay in pyrazine using the dynamic Stark effect

Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach

Quantum dynamics of the photostability of pyrazine

Laser control of the radiationless decay in pyrazine using the dynamic Stark effect

Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state

Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates: Applications to methane and fluoromethane

Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation

Suchergebnisse filtern