UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 50

Sortiert nach

Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Frontiers in astronomy and space sciences, 2021-03, Vol.8

2021

Volltextzugriff (PDF)

Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations

Frontiers in astronomy and space sciences, 2022-04, Vol.9

2022

Volltextzugriff (PDF)

The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations

The Journal of chemical physics, 2013-10, Vol.139 (16), p.164310-164310

2013

Volltextzugriff (PDF)

QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

Frontiers in astronomy and space sciences, 2022-03, Vol.9

2022

Volltextzugriff (PDF)

A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

The Journal of chemical physics, 2013-11, Vol.139 (20)

2013

Volltextzugriff (PDF)

On the electronic structure of methyl butyrate and methyl valerate

The European physical journal. D, Atomic, molecular, and optical physics, 2020, Vol.74 (7), Article 153

2020

Volltextzugriff (PDF)

Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (32), p.8983-8989

2011

Volltextzugriff (PDF)

Ground state analytical ab initio intermolecular potential for the Cl2-water system

The Journal of chemical physics, 2015-04, Vol.142 (14)

2015

Volltextzugriff (PDF)

Valence shell direct double photodetachment in polyanions

New journal of physics, 2013-06, Vol.15 (6), p.63024-10

2013

Volltextzugriff (PDF)

Theoretical characterization of the kinetics of the multiphase ozonolysis of an aqueous maleic acid droplet

Aerosol science and technology, 2024-04, Vol.58 (4), p.337-355

2024

Volltextzugriff (PDF)

Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach

Chemphyschem, 2024-05, Vol.25 (10), p.e202301001

2024

Volltextzugriff (PDF)

Water ice deuteration: a tracer of the chemical history of protostars

Astronomy and astrophysics (Berlin), 2013-02, Vol.550, p.1-23

2013

Volltextzugriff (PDF)

Exploring the low-lying electronic states of C4H6OS isomers, dihydro-2(3H)-thiophenone and dihydro-3(2H)-thiophenone

Journal of quantitative spectroscopy & radiative transfer, 2024-04, Vol.317, p.108926, Article 108926

2024

Volltextzugriff (PDF)

Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

The journal of physical chemistry. B, 2018-06, Vol.122 (22), p.5860-5869

2018

Volltextzugriff (PDF)

Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

Physical review letters, 2023-12, Vol.131 (23), p.238001-238001, Article 238001

2023

Volltextzugriff (PDF)

The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

The European physical journal. D, Atomic, molecular, and optical physics, 2023-11, Vol.77 (11), Article 202

2023

Volltextzugriff (PDF)

Electronic excitation of gaseous acetic acid studied by K-shell electron energy loss spectroscopy and ab initio calculations

International journal of mass spectrometry, 2008-11, Vol.277 (1-3), p.70-78

2008

Volltextzugriff (PDF)

Spectroscopy and Photodissociation of the Perfluorooctanoate Anion

Chemistry : a European journal, 2018-10, Vol.24 (58), p.15572-15576

2018

Volltextzugriff (PDF)

Photoionization of the Buckminsterfullerene Cation

The journal of physical chemistry letters, 2017-01, Vol.8 (1), p.7-12

2017

Volltextzugriff (PDF)

A combined experimental and theoretical study of the lowest-lying valence, Rydberg and ionic electronic states of 2,4,6-trichloroanisole

Journal of quantitative spectroscopy & radiative transfer, 2021-09, Vol.271, p.107751, Article 107751

2021

Volltextzugriff (PDF)

Automatic Determination of the Non‐Covalent Stable Conformations of the NO2‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach

Chemphyschem, 2024-05, Vol.25 (10), p.e202301001-n/a

2024

Volltextzugriff (PDF)

Nitrosyl iodide, INO: A combined ab initio and high-resolution spectroscopic study

Chemical physics letters, 2016-04, Vol.650, p.73-75

2016

Volltextzugriff (PDF)

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-12, Vol.120 (51), p.10141-10149

2016

Volltextzugriff (PDF)

Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-10, Vol.124 (41), p.8496-8508

2020

Volltextzugriff (PDF)

Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2015-08, Vol.119 (34), p.9059-9069

2015

Volltextzugriff (PDF)

1 – 25 von 50

Suche als RSS-Feed

Aktive Filter

PublikationsformArtikel

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(50)
Mit Volltextzugriff
(50)

Sprache

Englisch
(50)
Japanisch
(11)

Erscheinungsjahr

n.n

Thema

Physics
(42)
Science & Technology
(37)
Physical Sciences
(35)
Chemical Physics
(30)
Chemical Sciences
(22)
Or Physical Chemistry
(21)
Physics, Atomic, Molecular & Chemical
(21)
Theoretical And
(21)
Chemistry
(20)
Chemistry, Physical
(17)
Spectroscopy
(12)
Technology
(9)
Photoabsorption
(8)
Mathematical Analysis
(7)
Physical And Theoretical Chemistry
(6)
Synchrotron Radiation
(6)
Optics
(5)
Photolysis
(5)
Potential Energy
(5)
Astronomy & Astrophysics
(4)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Theoretical Determination of Binding Energies of Small Molecules on Interstellar Ice Surfaces

Editorial: Understanding the Astrophysical Molecular Complexity: Theoretical and Experimental Investigations

The H + CO ⇌ HCO reaction studied by ab initio benchmark calculations

QM/MM Study of the H2 Formation on the Surface of a Water Ice Grain Doped With Formaldehyde: Molecular Dynamics and Reaction Kinetics

A global ab initio potential energy surface for the X 2A′ ground state of the Si + OH → SiO + H reaction

On the electronic structure of methyl butyrate and methyl valerate

Theoretical Investigation of the Isomerization of trans-HCOH to H2CO: An Example of a Water-Catalyzed Reaction

Ground state analytical ab initio intermolecular potential for the Cl2-water system

Valence shell direct double photodetachment in polyanions

Theoretical characterization of the kinetics of the multiphase ozonolysis of an aqueous maleic acid droplet

Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach

Water ice deuteration: a tracer of the chemical history of protostars

Exploring the low-lying electronic states of C4H6OS isomers, dihydro-2(3H)-thiophenone and dihydro-3(2H)-thiophenone

Carotenoids: Experimental Ionization Energies and Capacity at Inhibiting Lipid Peroxidation in a Chemical Model of Dietary Oxidative Stress

Mechanism of Ultraviolet-Induced CO Desorption from CO Ice: Role of Vibrational Relaxation Highlighted

The electronic structure of 2(5H)-thiophenone investigated by vacuum ultraviolet synchrotron radiation and theoretical calculations

Electronic excitation of gaseous acetic acid studied by K-shell electron energy loss spectroscopy and ab initio calculations

Spectroscopy and Photodissociation of the Perfluorooctanoate Anion

Photoionization of the Buckminsterfullerene Cation

A combined experimental and theoretical study of the lowest-lying valence, Rydberg and ionic electronic states of 2,4,6-trichloroanisole

Automatic Determination of the Non‐Covalent Stable Conformations of the NO2‐Pyrene Cluster in Full Dimensionality (81D) Using the vdW‐TSSCDS Approach

Nitrosyl iodide, INO: A combined ab initio and high-resolution spectroscopic study

Water-Induced Organization of Palmitic Acid at the Surface of a Model Sea Salt Particle: A Molecular Dynamics Study

Absolute Photoabsorption Cross-Sections of Methanol for Terrestrial and Astrophysical Relevance

Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation

Aktive Filter

Suchergebnisse filtern