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...

Implementation and performance of the artificial force induced reaction method in the GRRM17 program

Journal of computational chemistry, 2018-02, Vol.39 (4), p.233-251

2018

Volltextzugriff (PDF)

Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces

Chemical record, 2016-10, Vol.16 (5), p.2232-2248

2016

Volltextzugriff (PDF)

Reactivity of Gold Clusters in the Regime of Structural Fluxionality

Journal of physical chemistry. C, 2015-05, Vol.119 (20), p.11120-11130

2015

Volltextzugriff (PDF)

Computational searches for crystal structures of dioxides of group 14 elements (CO, SiO, GeO) under ultrahigh pressure

RSC advances, 2020-06, Vol.1 (37), p.22156-22163

2020

Volltextzugriff (PDF)

Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal

The Journal of chemical physics, 2018-08, Vol.149 (7), p.072329-072329

2018

Volltextzugriff (PDF)

Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster

Nanoscale, 2023-03, Vol.15 (11), p.521-528

2023

Volltextzugriff (PDF)

Global Search for Crystal Structures of Carbon under High Pressure

ACS omega, 2020-07, Vol.5 (29), p.18142-18147

2020

Volltextzugriff (PDF)

Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (1), p.210-217

2019

Volltextzugriff (PDF)

Ambipolar to unipolar irreversible switching in nanosheet transistors: the role of ferrocene in fullerene/ferrocene nanosheets

Journal of materials chemistry. C, Materials for optical and electronic devices, 2022-03, Vol.10 (10), p.3770-3774

2022

Volltextzugriff (PDF)

Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon

Physical review. B, 2017-05, Vol.95 (18), p.184110, Article 184110

2017

Volltextzugriff (PDF)

One-Minute Joule Annealing Enhances the Thermoelectric Properties of Carbon Nanotube Yarns via the Formation of Graphene at the Interface

ACS applied energy materials, 2019-10, Vol.2 (10), p.7700-7708

2019

Volltextzugriff (PDF)

Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects

The journal of physical chemistry letters, 2023-07, Vol.14 (29), p.6695-6701

2023

Volltextzugriff (PDF)

Understanding CO oxidation on the Pt(111) surface based on a reaction route network

Physical chemistry chemical physics : PCCP, 2019-07, Vol.21 (26), p.14366-14375

2019

Volltextzugriff (PDF)

Structural H/D isotope effect in excess proton/deuteron in light/heavy water solvent by using path integral molecular dynamics simulation

Bulletin of the Chemical Society of Japan, 2023-12

2023

Volltextzugriff (PDF)

Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO 2 ) n ( n = 1-5)

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.625-632

2022

Volltextzugriff (PDF)

Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species

Advanced functional materials, 2023-08, Vol.33 (33), p.n/a

2023

Volltextzugriff (PDF)

Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO) ( = 1-5)

Physical chemistry chemical physics : PCCP, 2022-12, Vol.25 (1), p.625-632

2022

Volltextzugriff (PDF)

A Systematic Study on Bond Activation Energies of NO, N 2 , and O 2 on Hexamers of Eight Transition Metals

ChemCatChem, 2019-02, Vol.11 (4), p.1346-1353

2019

Volltextzugriff (PDF)

Ultrafine Spatial Modulation of Diazapyrene-Based Two-Dimensional Conjugated Covalent Organic Frameworks

Journal of the American Chemical Society, 2024-08, Vol.146 (33), p.23497-23507

2024

Volltextzugriff (PDF)

A Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu 13

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-01, Vol.123 (1), p.210-217

2019

Volltextzugriff (PDF)

One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions

ACS applied materials & interfaces, 2020-01, Vol.12 (2), p.2878-2883

2020

Volltextzugriff (PDF)

Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species (Adv. Funct. Mater. 33/2023)

Advanced functional materials, 2023-08, Vol.33 (33), p.n/a

2023

Volltextzugriff (PDF)

Global Reaction Route Mapping for Surface Adsorbed Molecules: A Case Study for H 2 O on Cu(111) Surface

Chemistry letters, 2018-04, Vol.47 (4), p.396-399

2018

Volltextzugriff (PDF)

Fullerene C70/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties

RSC advances, 2022-07, Vol.12 (30), p.19548-19553

2022

Volltextzugriff (PDF)

Fullerene C 70 /porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties

RSC advances, 2022-06, Vol.12 (30), p.19548-19553

2022

Volltextzugriff (PDF)

1 – 25 von 39

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(36)
Mit Volltextzugriff
(37)

Publikationsform

Artikel
(39)

Sprache

Englisch
(35)
Japanisch
(12)

Erscheinungsjahr

n.n

Thema

Science & Technology
(23)
Physical Sciences
(19)
Chemistry
(17)
Chemistry, Multidisciplinary
(10)
Materials Science
(9)
Materials Science, Multidisciplinary
(9)
Technology
(9)
Chemistry, Physical
(8)
Physics
(8)
Science & Technology - Other Topics
(6)
Nanoscience & Nanotechnology
(5)
Cardiology
(4)
Cardiovascular
(4)
Crystal Structure
(4)
Crystals
(4)
Density Functional Theory
(4)
Physics, Applied
(4)
Physics, Atomic, Molecular & Chemical
(4)
Catalysis
(3)
Internal Medicine
(3)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Implementation and performance of the artificial force induced reaction method in the GRRM17 program

Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces

Reactivity of Gold Clusters in the Regime of Structural Fluxionality

Computational searches for crystal structures of dioxides of group 14 elements (CO, SiO, GeO) under ultrahigh pressure

Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal

Improved activity for the oxygen evolution reaction using a tiara-like thiolate-protected nickel nanocluster

Global Search for Crystal Structures of Carbon under High Pressure

Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

Ambipolar to unipolar irreversible switching in nanosheet transistors: the role of ferrocene in fullerene/ferrocene nanosheets

Global search for low-lying crystal structures using the artificial force induced reaction method: A case study on carbon

One-Minute Joule Annealing Enhances the Thermoelectric Properties of Carbon Nanotube Yarns via the Formation of Graphene at the Interface

Theoretical Study of the Molecular Passivation Effect of Lewis Base/Acid on Lead-Free Tin Perovskite Surface Defects

Understanding CO oxidation on the Pt(111) surface based on a reaction route network

Structural H/D isotope effect in excess proton/deuteron in light/heavy water solvent by using path integral molecular dynamics simulation

Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO 2 ) n ( n = 1-5)

Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species

Theoretical investigations of positron affinities and their structure-dependent properties of carbon dioxide clusters (CO) ( = 1-5)

A Systematic Study on Bond Activation Energies of NO, N 2 , and O 2 on Hexamers of Eight Transition Metals

Ultrafine Spatial Modulation of Diazapyrene-Based Two-Dimensional Conjugated Covalent Organic Frameworks

A Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu 13

One-Dimensional Fullerene/Porphyrin Cocrystals: Near-Infrared Light Sensing through Component Interactions

Metal Single‐Atom Cocatalyst on Carbon Nitride for the Photocatalytic Hydrogen Evolution Reaction: Effects of Metal Species (Adv. Funct. Mater. 33/2023)

Global Reaction Route Mapping for Surface Adsorbed Molecules: A Case Study for H 2 O on Cu(111) Surface

Fullerene C70/porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties

Fullerene C 70 /porphyrin hybrid nanoarchitectures: single-cocrystal nanoribbons with ambipolar charge transport properties

Suchergebnisse filtern