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...

Study of the structure and excitation properties of polyalkylene Cyclo12 carbon

Journal of the Korean Physical Society, 2024-07, Vol.85 (2), p.175-182

2024

Volltextzugriff (PDF)

The particle surface of spinning test particles

The European physical journal. C, Particles and fields, 2023-09, Vol.83 (9), p.833-9, Article 833

2023

Volltextzugriff (PDF)

Geometries, stabilities, and electronic properties of small GanTi(0,±1) (n=1–10) clusters studied by density functional theory

Computational materials science, 2014-12, Vol.95, p.476-483

2014

Volltextzugriff (PDF)

Reaction mechanism between beryllium cluster and water molecules II: Based on density functional theory investigation on Be4 + 2H2O

International journal of hydrogen energy, 2024-05, Vol.67, p.1173-1180

2024

Volltextzugriff (PDF)

A computational investigation of XnK(X = Mn, Fe, co; n = 1–8) clusters by density functional theory

Computational and theoretical chemistry, 2024-08, Vol.1238, p.114738, Article 114738

2024

Volltextzugriff (PDF)

A DFT study on defects and N doping to enhance hydrogen storage in Mg-decorated graphene

Applied surface science, 2024-03, Vol.648, p.159078, Article 159078

2024

Volltextzugriff (PDF)

Reversible hydrogen storage with Na-modified Irida-Graphene: A density functional theory study

International journal of hydrogen energy, 2024-10, Vol.85, p.1-11

2024

Volltextzugriff (PDF)

Comparative Study on the H-Abstraction Reactions of Isopropyl Acetate and Propyl Acetate by HO 2 and OH Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-04, Vol.128 (14), p.2825-2842

2024

Volltextzugriff (PDF)

Comparative Study on the H‑Abstraction Reactions of Isopropyl Acetate and Propyl Acetate by HO2 and OH Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-04, Vol.128 (14), p.2825-2842

2024

Volltextzugriff (PDF)

Be13 cluster adsorbs water molecules splitting to produce H2 based on density functional theory

International journal of hydrogen energy, 2024-01, Vol.51, p.1265-1278

2024

Volltextzugriff (PDF)

The mechanism of hydrogen generation from H2O splitting of Ben (n = 14-17) clusters based on density functional theory

The Journal of physics and chemistry of solids, 2025-01, Vol.196, p.112358, Article 112358

2025

Volltextzugriff (PDF)

Hydrogen evolution reaction of Ben + H2O (n = 5–9) based on density functional theory

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.570-579

2022

Volltextzugriff (PDF)

Thermochemical and Kinetic Investigation of Pentanol Oxidation Initiated by Hydrogen, Methyl, Hydroxyl, and Hydroperoxyl Radicals

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-10

2024

Volltextzugriff (PDF)

Hydrogen evolution reaction of Be + HO ( = 5-9) based on density functional theory

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.57-579

2022

Volltextzugriff (PDF)

Hydrogen evolution reaction of Be n + H 2 O ( n = 5-9) based on density functional theory

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.570-579

2022

Volltextzugriff (PDF)

Investigating the catalytic activity of Mg n ( n = 4–8) clusters for the hydrogen evolution reaction using density functional theory

International journal of quantum chemistry, 2024-05, Vol.124 (9)

2024

Volltextzugriff (PDF)

Investigating the catalytic activity of Mgn (n = 4–8) clusters for the hydrogen evolution reaction using density functional theory

International journal of quantum chemistry, 2024-05, Vol.124 (9), p.n/a

2024

Volltextzugriff (PDF)

Density functional theory study of the adsorption of NO on CunX (n = 2–8; X = Cu, K) clusters

International journal of quantum chemistry, 2024-01, Vol.124 (1), p.n/a

2024

Volltextzugriff (PDF)

BenPt (n = 6–8) cluster adsorb water molecule splitting to produce H2 based on density functional theory

Computational materials science, 2024-01, Vol.233, p.112692, Article 112692

2024

Volltextzugriff (PDF)

Density functional theory study of the adsorption of NO on Cu n X ( n = 2–8; X = Cu, K ) clusters

International journal of quantum chemistry, 2024-01, Vol.124 (1)

2024

Volltextzugriff (PDF)

Theoretical study of H-abstraction reactions of di-n-propyl ether oxidation by H, CH3, HO2 and OH radicals

Fuel (Guildford), 2023-10, Vol.350, p.128785, Article 128785

2023

Volltextzugriff (PDF)

Reaction mechanism between Ge n ( n = 2–5) clusters and single water molecule based on density functional theory

International journal of quantum chemistry, 2023-08, Vol.123 (16)

2023

Volltextzugriff (PDF)

Reaction mechanism between Gen (n = 2–5) clusters and single water molecule based on density functional theory

International journal of quantum chemistry, 2023-08, Vol.123 (16), p.n/a

2023

Volltextzugriff (PDF)

Based on density functional theory: Reactions mechanism of Tan (n = 2–5) clusters and water molecules

Computational and theoretical chemistry, 2023-11, Vol.1229, p.114351, Article 114351

2023

Volltextzugriff (PDF)

Hydrogen evolution reactions between small-sized GanM (M = Ga, Al; n = 0, 1, 2, 3) clusters and water molecules

Journal of molecular liquids, 2022-11, Vol.365, p.120167, Article 120167

2022

Volltextzugriff (PDF)

1 – 25 von 124

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(99)
Mit Volltextzugriff
(106)

Publikationsform

Artikel
(115)
Tagungsberichte
(9)

Sprache

Englisch
(117)
Chinesisch
(6)

Erscheinungsjahr

n.n

Thema

Science & Technology
(83)
Physical Sciences
(50)
Technology
(40)
Chemistry
(33)
Physics
(26)
Chemistry, Physical
(23)
Life Sciences & Biomedicine
(19)
Materials Science
(19)
Materials Science, Multidisciplinary
(18)
Science & Technology - Other Topics
(17)
Density Functional Theory
(15)
Nanoscience & Nanotechnology
(14)
Physics, Applied
(14)
Physics, Condensed Matter
(14)
Engineering
(10)
Optics
(10)
Chemistry, Analytical
(9)
Chemistry, Multidisciplinary
(9)
China
(9)
Clusters
(7)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(3)

Menü

Weitere Dienste

Einstellungen

Study of the structure and excitation properties of polyalkylene Cyclo12 carbon

The particle surface of spinning test particles

Geometries, stabilities, and electronic properties of small GanTi(0,±1) (n=1–10) clusters studied by density functional theory

Reaction mechanism between beryllium cluster and water molecules II: Based on density functional theory investigation on Be4 + 2H2O

A computational investigation of XnK(X = Mn, Fe, co; n = 1–8) clusters by density functional theory

A DFT study on defects and N doping to enhance hydrogen storage in Mg-decorated graphene

Reversible hydrogen storage with Na-modified Irida-Graphene: A density functional theory study

Comparative Study on the H-Abstraction Reactions of Isopropyl Acetate and Propyl Acetate by HO 2 and OH Radicals

Comparative Study on the H‑Abstraction Reactions of Isopropyl Acetate and Propyl Acetate by HO2 and OH Radicals

Be13 cluster adsorbs water molecules splitting to produce H2 based on density functional theory

The mechanism of hydrogen generation from H2O splitting of Ben (n = 14-17) clusters based on density functional theory

Hydrogen evolution reaction of Ben + H2O (n = 5–9) based on density functional theory

Thermochemical and Kinetic Investigation of Pentanol Oxidation Initiated by Hydrogen, Methyl, Hydroxyl, and Hydroperoxyl Radicals

Hydrogen evolution reaction of Be + HO ( = 5-9) based on density functional theory

Hydrogen evolution reaction of Be n + H 2 O ( n = 5-9) based on density functional theory

Investigating the catalytic activity of Mg n ( n = 4–8) clusters for the hydrogen evolution reaction using density functional theory

Investigating the catalytic activity of Mgn (n = 4–8) clusters for the hydrogen evolution reaction using density functional theory

Density functional theory study of the adsorption of NO on CunX (n = 2–8; X = Cu, K) clusters

BenPt (n = 6–8) cluster adsorb water molecule splitting to produce H2 based on density functional theory

Density functional theory study of the adsorption of NO on Cu n X ( n = 2–8; X = Cu, K ) clusters

Theoretical study of H-abstraction reactions of di-n-propyl ether oxidation by H, CH3, HO2 and OH radicals

Reaction mechanism between Ge n ( n = 2–5) clusters and single water molecule based on density functional theory

Reaction mechanism between Gen (n = 2–5) clusters and single water molecule based on density functional theory

Based on density functional theory: Reactions mechanism of Tan (n = 2–5) clusters and water molecules

Hydrogen evolution reactions between small-sized GanM (M = Ga, Al; n = 0, 1, 2, 3) clusters and water molecules

Suchergebnisse filtern