UB Paderborn / Katalog / Suche / in CDI

Sortiert nach

Ab Initio Molecular Dynamics of High-Temperature Unimolecular Dissociation of Gas-Phase RDX and Its Dissociation Products

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-03, Vol.119 (12), p.2747-2759

Schweigert, Igor V

2015

Volltextzugriff (PDF)

Ab initio density functional theory: The best of both worlds?

The Journal of chemical physics, 2005-08, Vol.123 (6), p.062205-062205-21

2005

Volltextzugriff (PDF)

Hydrolysis of Dimethyl Methylphosphonate by the Cyclic Tetramer of Zirconium Hydroxide

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (40), p.7690-7696

2017

Volltextzugriff (PDF)

Adsorption of organophosphate nerve agent VX on the (101) surface of anatase titanium dioxide

Surface science, 2022-02, Vol.716, p.121957, Article 121957

2022

Volltextzugriff (PDF)

Vibrational Signatures of Sarin Adsorption on Anatase Surfaces

Surface science, 2021-03, Vol.705, p.121765, Article 121765

2021

Volltextzugriff (PDF)

Kinetics of Dimethyl Methylphosphonate Adsorption and Decomposition on Zirconium Hydroxide Using Variable Temperature In Situ Attenuated Total Reflection Infrared Spectroscopy

ACS applied materials & interfaces, 2020-04, Vol.12 (13), p.14662-14671

2020

Volltextzugriff (PDF)

Ab initio correlation functionals from second-order perturbation theory

The Journal of chemical physics, 2006-09, Vol.125 (10), p.104108-104108-14

2006

Volltextzugriff (PDF)

Battling Chemical Weapons with Zirconium Hydroxide Nanoparticle Sorbent: Impact of Environmental Contaminants on Sarin Sequestration and Decomposition

Langmuir, 2021-06, Vol.37 (23), p.6923-6934

2021

Volltextzugriff (PDF)

Electronic structure and molecular dynamics of breaking the RO-NO2 bond

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244110-244110

2009

Volltextzugriff (PDF)

Dissipative particle dynamics with reactions: Application to RDX decomposition

The Journal of chemical physics, 2019-09, Vol.151 (11)

2019

Volltextzugriff (PDF)

Modeling Electronic Trap States at Interfaces between Anatase Nanoparticles

Journal of physical chemistry. C, 2017-07, Vol.121 (26), p.14254-14260

2017

Volltextzugriff (PDF)

Coherent ultrafast core-hole correlation spectroscopy: x-ray analogues of multidimensional NMR

Physical review letters, 2007-10, Vol.99 (16), p.163001-163001, Article 163001

2007

Volltextzugriff (PDF)

Quantum mechanical simulations of condensed-phase decomposition dynamics in molten RDX

Journal of physics. Conference series, 2014-05, Vol.500 (5), p.52039-6

Schweigert, Igor V

2014

Volltextzugriff (PDF)

Coherent Multidimensional Optical Probes for Electron Correlations and Exciton Dynamics: From NMR to X-rays

Accounts of chemical research, 2009-04, Vol.42 (4), p.553-562

2009

Volltextzugriff (PDF)

Bimolecular Reactions between Dimethylnitramine and Its Radical Decomposition Products

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (8), p.1544-1552

2017

Volltextzugriff (PDF)

Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials

The journal of physical chemistry letters, 2014-06, Vol.5 (12), p.2144-2149

2014

Volltextzugriff (PDF)

Double-quantum-coherence attosecond x-ray spectroscopy of spatially separated, spectrally overlapping core-electron transitions

Physical review. A, Atomic, molecular, and optical physics, 2008-11, Vol.78 (5), Article 052509

2008

Volltextzugriff (PDF)

Two-dimensional optical spectroscopy of excitons in semiconductor quantum wells: Liouville-space pathway analysis

Physical review. B, Condensed matter and materials physics, 2007-03, Vol.75 (12), Article 125302

2007

Volltextzugriff (PDF)

Thermodynamic and kinetic stabilities of CO2 oligomers

The Journal of chemical physics, 2013-04, Vol.138 (13), p.134304-134304

2013

Volltextzugriff (PDF)

Probing interactions between core-electron transitions by ultrafast two-dimensional x-ray coherent correlation spectroscopy

The Journal of chemical physics, 2008-05, Vol.128 (18), p.184307-184307

2008

Volltextzugriff (PDF)

Probing Multiple Core−Hole Interactions in the Nitrogen K-Edge of DNA Base Pairs by Multidimensional Attosecond X-ray Spectroscopy. A Simulation Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2008-11, Vol.112 (45), p.11449-11461

2008

Volltextzugriff (PDF)

Shattering dissociation in high-energy molecular collisions between nitrate esters

The Journal of chemical physics, 2011-09, Vol.135 (11), p.114306-114306-6

2011

Volltextzugriff (PDF)

Modeling solid–solid phase transitions in PETN using density functional theory

AIP Conference Proceedings, 2018, Vol.1979 (1)

2018

Volltextzugriff (PDF)

Probing interactions between core-electron transitionsby ultrafast two-dimensional x-ray coherent correlation spectroscopy

The Journal of chemical physics, 2008-05, Vol.128 (18), p.184307-184307-11

2008

Volltextzugriff (PDF)

Electronic structure and molecular dynamics of breakingthe RO-NO 2 bond

The Journal of chemical physics, 2009-06, Vol.130 (24), p.244110-244110-7

2009

Volltextzugriff (PDF)

1 – 25 von 35

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(30)
Mit Volltextzugriff
(34)

Publikationsform

Artikel
(33)
Tagungsberichte
(2)

Sprache

Englisch
(33)
Japanisch
(5)

Erscheinungsjahr

n.n

Thema

Science & Technology
(29)
Physical Sciences
(27)
Physics
(22)
Chemistry
(20)
Chemistry, Physical
(19)
Physics, Atomic, Molecular & Chemical
(16)
Density Functional Theory
(8)
Materials Science
(6)
Materials Science, Multidisciplinary
(5)
Technology
(5)
Physics, Condensed Matter
(4)
Science & Technology - Other Topics
(4)
Simulation
(4)
X-Ray Spectra
(4)
Decomposition Reactions
(3)
Nanoscience & Nanotechnology
(3)
Optics
(3)
Rdx
(3)
X Radiation
(3)
Adsorption
(2)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Ab Initio Molecular Dynamics of High-Temperature Unimolecular Dissociation of Gas-Phase RDX and Its Dissociation Products

Ab initio density functional theory: The best of both worlds?

Hydrolysis of Dimethyl Methylphosphonate by the Cyclic Tetramer of Zirconium Hydroxide

Adsorption of organophosphate nerve agent VX on the (101) surface of anatase titanium dioxide

Vibrational Signatures of Sarin Adsorption on Anatase Surfaces

Kinetics of Dimethyl Methylphosphonate Adsorption and Decomposition on Zirconium Hydroxide Using Variable Temperature In Situ Attenuated Total Reflection Infrared Spectroscopy

Ab initio correlation functionals from second-order perturbation theory

Battling Chemical Weapons with Zirconium Hydroxide Nanoparticle Sorbent: Impact of Environmental Contaminants on Sarin Sequestration and Decomposition

Electronic structure and molecular dynamics of breaking the RO-NO2 bond

Dissipative particle dynamics with reactions: Application to RDX decomposition

Modeling Electronic Trap States at Interfaces between Anatase Nanoparticles

Coherent ultrafast core-hole correlation spectroscopy: x-ray analogues of multidimensional NMR

Quantum mechanical simulations of condensed-phase decomposition dynamics in molten RDX

Coherent Multidimensional Optical Probes for Electron Correlations and Exciton Dynamics: From NMR to X-rays

Bimolecular Reactions between Dimethylnitramine and Its Radical Decomposition Products

Coarse-Grain Model Simulations of Nonequilibrium Dynamics in Heterogeneous Materials

Double-quantum-coherence attosecond x-ray spectroscopy of spatially separated, spectrally overlapping core-electron transitions

Two-dimensional optical spectroscopy of excitons in semiconductor quantum wells: Liouville-space pathway analysis

Thermodynamic and kinetic stabilities of CO2 oligomers

Probing interactions between core-electron transitions by ultrafast two-dimensional x-ray coherent correlation spectroscopy

Probing Multiple Core−Hole Interactions in the Nitrogen K-Edge of DNA Base Pairs by Multidimensional Attosecond X-ray Spectroscopy. A Simulation Study

Shattering dissociation in high-energy molecular collisions between nitrate esters

Modeling solid–solid phase transitions in PETN using density functional theory

Probing interactions between core-electron transitionsby ultrafast two-dimensional x-ray coherent correlation spectroscopy

Electronic structure and molecular dynamics of breakingthe RO-NO 2 bond

Suchergebnisse filtern