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...

Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods

Chemphyschem, 2021-03, Vol.22 (6), p.553-560

2021

Volltextzugriff (PDF)

Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment

Chemical reviews, 2016-05, Vol.116 (9), p.4937-4982

2016

Volltextzugriff (PDF)

Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2021-01, Vol.125 (2), p.513-522

2021

Volltextzugriff (PDF)

Selective production of furfuryl alcohol from furfural by catalytic transfer hydrogenation over commercial aluminas

Applied catalysis. A, General, 2018-04, Vol.556, p.1-9

2018

Volltextzugriff (PDF)

Synthesis, Characterization, Uses and Applications of Porous Clays Heterostructures: A Review

Chemical record, 2018-07, Vol.18 (7-8), p.1085-1104

2018

Volltextzugriff (PDF)

Exchange Rules for Diradical π‑Conjugated Hydrocarbons

Nano letters, 2019-09, Vol.19 (9), p.5991-5997

2019

Volltextzugriff (PDF)

Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character

Journal of chemical theory and computation, 2015-01, Vol.11 (1), p.168-177

2015

Volltextzugriff (PDF)

Beneficial effects of calcium chloride on glucose dehydration to 5-hydroxymethylfurfural in the presence of alumina as catalyst

Applied catalysis. B, Environmental, 2017-06, Vol.206, p.617-625

2017

Volltextzugriff (PDF)

Application to nonlinear optical properties of the RSX‐QIDH double‐hybrid range‐separated functional

Journal of computational chemistry, 2024-05, Vol.45 (13), p.995-1001

2024

Volltextzugriff (PDF)

Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops

Journal of organic chemistry, 2020-01, Vol.85 (1), p.129-141

2020

Volltextzugriff (PDF)

Tailoring the selectivity of Cu-based catalysts in the furfural hydrogenation reaction: Influence of the morphology of the silica support

Fuel (Guildford), 2022-07, Vol.319, p.123827, Article 123827

2022

Volltextzugriff (PDF)

Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

Physical review materials, 2017-12, Vol.1 (7), Article 075602

2017

Volltextzugriff (PDF)

Evaluation of the ZrO2/Al2O3 system as catalysts in the catalytic transfer hydrogenation of furfural to obtain furfuryl alcohol

Applied catalysis. A, General, 2021-01, Vol.609, p.117905, Article 117905

2021

Volltextzugriff (PDF)

Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11697-1176

2023

Volltextzugriff (PDF)

Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position

The journal of physical chemistry letters, 2022-07, Vol.13 (26), p.6003-6010

2022

Volltextzugriff (PDF)

Dehydration of d-xylose to furfural using different supported niobia catalysts

Applied catalysis. B, Environmental, 2014-06, Vol.152-153, p.1-10

2014

Volltextzugriff (PDF)

The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (10), p.7112-7124

2018

Volltextzugriff (PDF)

Effect of the treatment with H3PO4 on the catalytic activity of Nb2O5 supported on Zr-doped mesoporous silica catalyst. Case study: Glycerol dehydration

Applied catalysis. B, Environmental, 2018-02, Vol.221, p.158-168

2018

Volltextzugriff (PDF)

Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions

Journal of chemical theory and computation, 2013-08, Vol.9 (8), p.3437-3443

2013

Volltextzugriff (PDF)

Ni supported on sepiolite catalysts for the hydrogenation of furfural to value-added chemicals: influence of the synthesis method on the catalytic performance

Topics in catalysis, 2019-06, Vol.62 (5-6), p.535-550

2019

Volltextzugriff (PDF)

Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH‐SVPD method

International journal of quantum chemistry, 2020-07, Vol.120 (13), p.n/a

2020

Volltextzugriff (PDF)

Abnormal pulmonary function tests predict the development of radiation-induced pneumonitis in advanced non-small cell lung Cancer

Respiratory research, 2018-04, Vol.19 (1), p.72-10, Article 72

2018

Volltextzugriff (PDF)

Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-05, Vol.124 (18), p.3555-3563

2020

Volltextzugriff (PDF)

Catalytic transfer hydrogenation of furfural to furfuryl alcohol over calcined MgFe hydrotalcites

Applied clay science, 2019-12, Vol.183, p.105351, Article 105351

2019

Volltextzugriff (PDF)

V and V–P containing Zr-SBA-15 catalysts for dehydration of glycerol to acrolein

Catalysis today, 2015-10, Vol.254, p.43-52

2015

Volltextzugriff (PDF)

1 – 25 von 1.047

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(899)
Mit Volltextzugriff
(922)

Publikationsform

Sprache

2 weitere anzeigen...

Weniger anzeigen...

Erscheinungsjahr

n.n

Thema

Science & Technology
(509)
Life Sciences & Biomedicine
(323)
Humans
(278)
Male
(205)
Female
(169)
Physical Sciences
(166)
Chemistry
(153)
Chemistry, Physical
(129)
Adult
(109)
Middle Aged
(100)
Physics
(94)
Biological And Medical Sciences
(83)
Animals
(82)
Physics, Atomic, Molecular & Chemical
(76)
Aged
(70)
Medical Sciences
(59)
Technology
(37)
Adolescent
(34)
Risk Factors
(33)
Patients
(32)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Singlet‐Triplet Excited‐State Inversion in Heptazine and Related Molecules: Assessment of TD‐DFT and ab initio Methods

Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment

Negative Singlet–Triplet Excitation Energy Gap in Triangle-Shaped Molecular Emitters for Efficient Triplet Harvesting

Selective production of furfuryl alcohol from furfural by catalytic transfer hydrogenation over commercial aluminas

Synthesis, Characterization, Uses and Applications of Porous Clays Heterostructures: A Review

Exchange Rules for Diradical π‑Conjugated Hydrocarbons

Theoretical Rationalization of the Singlet–Triplet Gap in OLEDs Materials: Impact of Charge-Transfer Character

Beneficial effects of calcium chloride on glucose dehydration to 5-hydroxymethylfurfural in the presence of alumina as catalyst

Application to nonlinear optical properties of the RSX‐QIDH double‐hybrid range‐separated functional

Precision Nanotube Mimics via Self-Assembly of Programmed Carbon Nanohoops

Tailoring the selectivity of Cu-based catalysts in the furfural hydrogenation reaction: Influence of the morphology of the silica support

Nature of the singlet and triplet excitations mediating thermally activated delayed fluorescence

Evaluation of the ZrO2/Al2O3 system as catalysts in the catalytic transfer hydrogenation of furfural to obtain furfuryl alcohol

Electronic structure of rhombus-shaped nanographenes: system size evolution from closed- to open-shell ground states

Tuning the Diradical Character of Indolocarbazoles: Impact of Structural Isomerism and Substitution Position

Dehydration of d-xylose to furfural using different supported niobia catalysts

The role of topology in organic molecules: origin and comparison of the radical character in linear and cyclic oligoacenes and related oligomers

Effect of the treatment with H3PO4 on the catalytic activity of Nb2O5 supported on Zr-doped mesoporous silica catalyst. Case study: Glycerol dehydration

Nonlocal van der Waals Approach Merged with Double-Hybrid Density Functionals: Toward the Accurate Treatment of Noncovalent Interactions

Ni supported on sepiolite catalysts for the hydrogenation of furfural to value-added chemicals: influence of the synthesis method on the catalytic performance

Computation of covalent and noncovalent structural parameters at low computational cost: Efficiency of the DH‐SVPD method

Abnormal pulmonary function tests predict the development of radiation-induced pneumonitis in advanced non-small cell lung Cancer

Nature (Hole or Electron) of Charge-Transfer Ability of Substituted Cyclopyrenylene Hoop-Shaped Compounds

Catalytic transfer hydrogenation of furfural to furfuryl alcohol over calcined MgFe hydrotalcites

V and V–P containing Zr-SBA-15 catalysts for dehydration of glycerol to acrolein

Suchergebnisse filtern