UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 299

Sortiert nach

Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO

Chemical communications (Cambridge, England), 2022-01, Vol.58 (4), p.565-568

2022

Link zum Volltext

Verfügbarkeit prüfen

DFT calculations in solution systems: solvation energy, dispersion energy and entropy

Physical chemistry chemical physics : PCCP, 2023-01, Vol.25 (2), p.913-931

2023

Link zum Volltext

Verfügbarkeit prüfen

Experimental and Computational Studies on the Reactivity of a Terminal Thorium Imidometallocene towards Organic Azides and Diazoalkanes

Angewandte Chemie (International ed.), 2014-10, Vol.53 (42), p.11310-11314

International ed. in English, 2014

Link zum Volltext

Verfügbarkeit prüfen

The treatment of dispersion terms for solution systems

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (29), p.19422-19426

2023

Link zum Volltext

Verfügbarkeit prüfen

A Base-Free Thorium-Terminal-Imido Metallocene: Synthesis, Structure, and Reactivity

Chemistry : a European journal, 2011-11, Vol.17 (45), p.12669-12682

2011

Link zum Volltext

Verfügbarkeit prüfen

A computational study on ruthenium-catalyzed [4 + 1] annulation via C–H activation: the origin of selectivity and the role of the internal oxidizing group

Organic chemistry frontiers an international journal of organic chemistry, 2019-08, Vol.6 (15), p.2600-2606

2019

Link zum Volltext

Verfügbarkeit prüfen

Multi-stimuli responsive behaviors of two TPE-based tautomers in the solid state and in solution

Journal of materials chemistry. C, Materials for optical and electronic devices, 2020-01, Vol.8 (12), p.4246-4252

2020

Link zum Volltext

Verfügbarkeit prüfen

Catalytic C–H Activation/C–C Coupling Reaction: DFT Studies on the Mechanism, Solvent Effect, and Role of Additive

Journal of organic chemistry, 2013-03, Vol.78 (6), p.2405-2412

2013

Link zum Volltext

Verfügbarkeit prüfen

Energy transfer between rare earths in layered rare-earth hydroxides

RSC advances, 2018-01, Vol.8 (7), p.3592-3598

2018

Link zum Volltext

Verfügbarkeit prüfen

Grinding-Triggered Single Crystal-to-Single Crystal Transformation of a Zinc(II) Complex: Mechanochromic Luminescence and Aggregation-Induced Emission Properties

Inorganic chemistry, 2019-04, Vol.58 (7), p.4626-4633

2019

Link zum Volltext

Verfügbarkeit prüfen

The effects of bromine atoms on the photophysical and photochemical properties of 3-cinnamoylcoumarin derivatives

New journal of chemistry, 2018, Vol.42 (9), p.7377-7382

2018

Link zum Volltext

Verfügbarkeit prüfen

DFT study on ruthenium-catalyzed N-methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C–C activation

Organic chemistry frontiers an international journal of organic chemistry, 2022-12, Vol.9 (24), p.6808-6816

2022

Link zum Volltext

Verfügbarkeit prüfen

DFT study on stereoselective Rh-catalyzed intramolecular [2 + 2 + 2] cycloaddition of allene–ene–ynes

Organic chemistry frontiers an international journal of organic chemistry, 2023-01, Vol.10 (11), p.2624-2634

2023

Link zum Volltext

Verfügbarkeit prüfen

The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide

Chemical communications (Cambridge, England), 2014-01, Vol.50 (49), p.6475-6478

2014

Link zum Volltext

Verfügbarkeit prüfen

A Theoretical Study of Ene Reactions in Solution: A Solution-Phase Translational Entropy Model

Chemphyschem, 2015-12, Vol.16 (17), p.3711-3718

2015

Link zum Volltext

Verfügbarkeit prüfen

DFT Studies on the Mechanism of Palladium(IV)-Mediated C–H Activation Reactions: Oxidant Effect and Regioselectivity

Organometallics, 2015-02, Vol.34 (4), p.770-777

2015

Link zum Volltext

Verfügbarkeit prüfen

DFT studies on the reaction mechanism of cis-dioxoruthenium(VI)-mediated alkene oxidation

Structural chemistry, 2017-10, Vol.28 (5), p.1453-1459

Fang, De-Cai

2017

Link zum Volltext

Verfügbarkeit prüfen

Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

Nature communications, 2015-11, Vol.6 (1), p.8631-8631, Article 8631

2015

Link zum Volltext

Verfügbarkeit prüfen

DFT study on the ruthenium-catalyzed decarbonylative annulation of an alkyne with a six-membered hydroxychromone via C–H/C–C activation

Organic chemistry frontiers an international journal of organic chemistry, 2022-02, Vol.9 (4), p.1056-1064

2022

Link zum Volltext

Verfügbarkeit prüfen

DFT studies on the distinct mechanisms of C-H activation and oxidation reactions mediated by mononuclear- and binuclear-palladium

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (17), p.6102-6111

2018

Link zum Volltext

Verfügbarkeit prüfen

A Theoretical Probe of Mechanistic Trichotomy in Rh III ‐Catalyzed Annulation with Alkyne MIDA Boronates: Roles of Salt, Solvent, and Coupling Partner

European journal of organic chemistry, 2015-07, Vol.2015 (21), p.4772-4781

2015

Link zum Volltext

Verfügbarkeit prüfen

Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory

Journal of organic chemistry, 2013-09, Vol.78 (17), p.8376-8385

2013

Link zum Volltext

Verfügbarkeit prüfen

Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions

Dalton transactions : an international journal of inorganic chemistry, 2018, Vol.47 (38), p.13730-13738

2018

Link zum Volltext

Verfügbarkeit prüfen

Dissociative electron transfer of copper( ii ) complexes of glycyl(glycyl/alanyl)tryptophan in vacuo : IRMPD action spectroscopy provides evidence of transition from zwitterionic to non-zwitterionic peptide structures

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (23), p.13084-13091

2020

Link zum Volltext

Verfügbarkeit prüfen

Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals

International journal of quantum chemistry, 2013-04, Vol.113 (7), p.975-984

2013

Link zum Volltext

Verfügbarkeit prüfen

1 – 25 von 299

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(247)
Mit Volltextzugriff
(283)

Publikationsform

Artikel
(297)
Berichte
(2)

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(183)
Physical Sciences
(156)
Chemistry
(151)
Chemistry, Physical
(67)
Physics
(35)
Chemistry, Organic
(32)
Chemistry, Multidisciplinary
(29)
Physics, Atomic, Molecular & Chemical
(28)
Life Sciences & Biomedicine
(26)
Organic Chemistry
(25)
Chemistry, Inorganic & Nuclear
(21)
Density Functional Theory
(21)
Humans
(19)
Exact Sciences And Technology
(18)
Cycloaddition
(15)
Technology
(13)
Catalysis
(12)
Optics
(9)
Reaction Mechanisms
(9)
Engineering
(8)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 90 Tagen
(1)

Menü

Weitere Dienste

Einstellungen

Tunnelling assisted hydrogen elimination mechanisms of FeCl3/TEMPO

DFT calculations in solution systems: solvation energy, dispersion energy and entropy

Experimental and Computational Studies on the Reactivity of a Terminal Thorium Imidometallocene towards Organic Azides and Diazoalkanes

The treatment of dispersion terms for solution systems

A Base-Free Thorium-Terminal-Imido Metallocene: Synthesis, Structure, and Reactivity

A computational study on ruthenium-catalyzed [4 + 1] annulation via C–H activation: the origin of selectivity and the role of the internal oxidizing group

Multi-stimuli responsive behaviors of two TPE-based tautomers in the solid state and in solution

Catalytic C–H Activation/C–C Coupling Reaction: DFT Studies on the Mechanism, Solvent Effect, and Role of Additive

Energy transfer between rare earths in layered rare-earth hydroxides

Grinding-Triggered Single Crystal-to-Single Crystal Transformation of a Zinc(II) Complex: Mechanochromic Luminescence and Aggregation-Induced Emission Properties

The effects of bromine atoms on the photophysical and photochemical properties of 3-cinnamoylcoumarin derivatives

DFT study on ruthenium-catalyzed N-methylbenzamide-directed 1,4-addition of the ortho C–H bond to maleimide via C–H/C–C activation

DFT study on stereoselective Rh-catalyzed intramolecular [2 + 2 + 2] cycloaddition of allene–ene–ynes

The rational design of a highly sensitive and selective fluorogenic probe for detecting nitric oxide

A Theoretical Study of Ene Reactions in Solution: A Solution-Phase Translational Entropy Model

DFT Studies on the Mechanism of Palladium(IV)-Mediated C–H Activation Reactions: Oxidant Effect and Regioselectivity

DFT studies on the reaction mechanism of cis-dioxoruthenium(VI)-mediated alkene oxidation

Atomic and vibrational origins of mechanical toughness in bioactive cement during setting

DFT study on the ruthenium-catalyzed decarbonylative annulation of an alkyne with a six-membered hydroxychromone via C–H/C–C activation

DFT studies on the distinct mechanisms of C-H activation and oxidation reactions mediated by mononuclear- and binuclear-palladium

A Theoretical Probe of Mechanistic Trichotomy in Rh III ‐Catalyzed Annulation with Alkyne MIDA Boronates: Roles of Salt, Solvent, and Coupling Partner

Pd(OAc)2‑Catalyzed C–H Activation/C–O Cyclization: Mechanism, Role of OxidantProbed by Density Functional Theory

Photophysical properties of a D-π-A Schiff base and its applications in the detection of metal ions

Dissociative electron transfer of copper( ii ) complexes of glycyl(glycyl/alanyl)tryptophan in vacuo : IRMPD action spectroscopy provides evidence of transition from zwitterionic to non-zwitterionic peptide structures

Balancing the atomic waistline: Isodensity-based scrf radii for main-group elements and transition metals

Suchergebnisse filtern