UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 106

Sortiert nach

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

Journal of chemical theory and computation, 2023-01, Vol.19 (1), p.245-270

2023

Volltextzugriff (PDF)

Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

Physical review letters, 2014-03, Vol.112 (10), p.103203-103203, Article 103203

2014

Volltextzugriff (PDF)

The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

The Journal of chemical physics, 2014-02, Vol.140 (8), p.084702-084702

2014

Volltextzugriff (PDF)

First principles study of the photo-oxidation of water on tungsten trioxide (WO3)

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114701-114701

2009

Volltextzugriff (PDF)

Comparison of methods for finding saddle points without knowledge of the final states

The Journal of chemical physics, 2004-11, Vol.121 (20), p.9776-9792

2004

Volltextzugriff (PDF)

Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration

The Journal of chemical physics, 2010-10, Vol.133 (14)

2010

Volltextzugriff (PDF)

Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption

The Journal of chemical physics, 2010-05, Vol.132 (18)

2010

Volltextzugriff (PDF)

Molecular Dynamics Simulations of CO2 Formation in Interstellar Ices

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-08, Vol.117 (32), p.7064-7074

2013

Volltextzugriff (PDF)

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

The journal of physical chemistry. B, 2006-09, Vol.110 (36), p.17719-17735

2006

Volltextzugriff (PDF)

Hydrogen dissociation on small aluminum clusters

The Journal of chemical physics, 2010-11, Vol.133 (18), p.184304-184304-12

2010

Volltextzugriff (PDF)

Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice

The Journal of chemical physics, 2013-03, Vol.138 (10), p.104701-104701

2013

Volltextzugriff (PDF)

CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional

The Journal of chemical physics, 2018-07, Vol.149 (4), p.044701-044701

2018

Volltextzugriff (PDF)

Molecular dynamics simulations of D2O ice photodesorption

The Journal of chemical physics, 2011-04, Vol.134 (16), p.164503-164503

2011

Volltextzugriff (PDF)

Possible effect of static surface disorder on diffractive scattering of H 2 from Ru(0001): Comparison between theory and experiment

The Journal of chemical physics, 2017-12, Vol.147 (24), p.244705

2017

Volltextzugriff (PDF)

The photodissociation of the water dimer in the A ̃ band:A twelve-dimensional quasiclassical study

The Journal of chemical physics, 2008-04, Vol.128 (14), p.144313-144313-21

2008

Volltextzugriff (PDF)

Sticking of CO to crystalline and amorphous ice surfaces

The Journal of chemical physics, 2004-02, Vol.120 (7), p.3358-3367

2004

Volltextzugriff (PDF)

Molecular surface structure of ice(0001): dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations

Surface science, 1997-06, Vol.381 (2), p.190-210

1997

Volltextzugriff (PDF)

Dissociative chemisorption of H2 on Pt(111): isotope effect and effects of the rotational distribution and energy dispersion

Surface science, 2004-12, Vol.573 (3), p.433-445

2004

Volltextzugriff (PDF)

Exploring surface landscapes with molecules: rotationally induced diffraction of H 2 on LiF(001) under fast grazing incidence conditions

Physical chemistry chemical physics : PCCP, 2017-07, Vol.19 (25), p.16317-16322

2017

Volltextzugriff (PDF)

Real time chemical dynamics at surfaces

Surface science, 2002-03, Vol.500 (1-3), p.475-499

2002

Volltextzugriff (PDF)

An analytical six-dimensional potential energy surface for dissociation of molecular hydrogen on Cu(100)

The Journal of chemical physics, 1996-05, Vol.104 (18), p.7344-7358

1996

Volltextzugriff (PDF)

Sticking of Hyperthermal CO to the (0001) Face of Crystalline Ice

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-12, Vol.107 (49), p.10615-10624

2003

Volltextzugriff (PDF)

H 2 / LiF ( 001 ) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

Physical review. B, 2017-11, Vol.96 (20), Article 205432

2017

Volltextzugriff (PDF)

Multidimensional Effects on Dissociation of N 2 on Ru(0001)

Physical review letters, 2006-03, Vol.96 (9), Article 096102

2006

Volltextzugriff (PDF)

Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule-surface reaction: H2 + Pt(111)

Chemical physics letters, 2003-07, Vol.376 (5-6), p.566-575

2003

Volltextzugriff (PDF)

1 – 25 von 106

Suche als RSS-Feed

Aktive Filter

ThemaPhysics

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(102)
Mit Volltextzugriff
(106)

Publikationsform

Sprache

Englisch
(106)
Japanisch
(24)

Erscheinungsjahr

n.n

Menü

Weitere Dienste

Einstellungen

SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

Electronic friction dominates hydrogen hot-atom relaxation on Pd(100)

The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

First principles study of the photo-oxidation of water on tungsten trioxide (WO3)

Comparison of methods for finding saddle points without knowledge of the final states

Quantum dynamics of dissociative chemisorption of CH4 on Ni(111): Influence of the bending vibration

Molecular dynamics simulations of the ice temperature dependence of water ice photodesorption

Molecular Dynamics Simulations of CO2 Formation in Interstellar Ices

Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations

Hydrogen dissociation on small aluminum clusters

Isotope effects on the photodesorption processes of X2O (X = H,D) and HOD ice

CHD3 dissociation on Pt(111): A comparison of the reaction dynamics based on the PBE functional and on a specific reaction parameter functional

Molecular dynamics simulations of D2O ice photodesorption

Possible effect of static surface disorder on diffractive scattering of H 2 from Ru(0001): Comparison between theory and experiment

The photodissociation of the water dimer in the A ̃ band:A twelve-dimensional quasiclassical study

Sticking of CO to crystalline and amorphous ice surfaces

Molecular surface structure of ice(0001): dynamical low-energy electron diffraction, total-energy calculations and molecular dynamics simulations

Dissociative chemisorption of H2 on Pt(111): isotope effect and effects of the rotational distribution and energy dispersion

Exploring surface landscapes with molecules: rotationally induced diffraction of H 2 on LiF(001) under fast grazing incidence conditions

Real time chemical dynamics at surfaces

An analytical six-dimensional potential energy surface for dissociation of molecular hydrogen on Cu(100)

Sticking of Hyperthermal CO to the (0001) Face of Crystalline Ice

H 2 / LiF ( 001 ) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface

Multidimensional Effects on Dissociation of N 2 on Ru(0001)

Multi-dimensional potential energy surface determination by modified Shepard interpolation for a molecule-surface reaction: H2 + Pt(111)

Aktive Filter

Suchergebnisse filtern