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...

Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference

The Journal of chemical physics, 2014-10, Vol.141 (13), p.134118-134118

2014

Volltextzugriff (PDF)

Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

Angewandte Chemie (International ed.), 2009-01, Vol.48 (8), p.1407-1410

2009

Volltextzugriff (PDF)

The mechanism of alopolysaccharide protecting ulceralive colitis

Biomedicine & pharmacotherapy, 2017-04, Vol.88, p.145-150

2017

Volltextzugriff (PDF)

Double-Boron Heterocyclic Carbenes: Computational Study of the Diels-Alder Reactions

Physical chemistry chemical physics : PCCP, 2024

2024

Volltextzugriff (PDF)

Designing thermally activated delayed fluorescence emitters with through-space charge transfer: a theoretical study

Physical chemistry chemical physics : PCCP, 2024-02, Vol.26 (7), p.642-6428

2024

Volltextzugriff (PDF)

Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?

Journal of the American Chemical Society, 2019-04, Vol.141 (14), p.6030-6047

2019

Volltextzugriff (PDF)

Band gap opening of bilayer graphene by graphene oxide support doping

RSC advances, 2017, Vol.7 (16), p.9862-9871

2017

Volltextzugriff (PDF)

Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes

Journal of the American Chemical Society, 2017-07, Vol.139 (27), p.9302-9316

2017

Volltextzugriff (PDF)

Carbonyl (C&z.dbd;O)/N-based thermally activated delayed fluorescent materials with high efficiency and fast reverse intersystem crossing rate: a theoretical design and study

New journal of chemistry, 2023-04, Vol.47 (16), p.7686-7693

2023

Volltextzugriff (PDF)

Enhancing Reverse Intersystem Crossing in Triptycene-TADF Emitters: Theoretical Insights into Reorganization Energy and Heavy Atom Effects

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2024-03, Vol.128 (9), p.1611-1619

2024

Volltextzugriff (PDF)

Oxygen‐Molecule Adsorption and Dissociation on BCN Graphene: A First‐Principles Study

Chemphyschem, 2017-01, Vol.18 (1), p.101-110

2017

Volltextzugriff (PDF)

Thermally activated delayed fluorescence materials with aggregation-induced emission properties: a QM/MM study

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (45), p.25789-25796

2021

Volltextzugriff (PDF)

Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field

RSC advances, 2015-01, Vol.5 (120), p.99153-99163

2015

Volltextzugriff (PDF)

Bonding Conundrums in the C 2 Molecule: A Valence Bond Study

Journal of chemical theory and computation, 2011-01, Vol.7 (1), p.121-130

2011

Volltextzugriff (PDF)

Bonding Conundrums in the C2 Molecule: A Valence Bond Study

Journal of chemical theory and computation, 2011-01, Vol.7 (1), p.121-130

2011

Volltextzugriff (PDF)

Predicting and Designing Thermally Activated Delayed Fluorescence Molecules with Balanced Δ E ST and Transition Dipole Moment

Advanced theory and simulations, 2022-11, Vol.5 (11)

2022

Volltextzugriff (PDF)

Predicting and Designing Thermally Activated Delayed Fluorescence Molecules with Balanced ΔEST and Transition Dipole Moment

Advanced theory and simulations, 2022-11, Vol.5 (11), p.n/a

2022

Volltextzugriff (PDF)

Realizing semiconductor to metal transition in graphitic ZnO and MoS 2 nanocomposite with external electric field

RSC advances, 2015, Vol.5 (120), p.99153-99163

2015

Volltextzugriff (PDF)

Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond Study

Journal of chemical theory and computation, 2008-12, Vol.4 (12), p.2101-2107

2008

Volltextzugriff (PDF)

Band gap opening of bilayer graphene by graphene oxide support dopingElectronic supplementary information (ESI) available: Charge transfers of BG/GOs with different sampling space, optimized structures and calculated results for other stacking order and other configuration, and the corresponding band structures. See DOI: 10.1039/c7ra01134b

2017-02

Volltextzugriff (PDF)

Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric fieldElectronic supplementary information (ESI) available: Geometrical structures, band structures, partial charge densities, and DOS of g-ZnO/MoS2 or bilayer MoS2 with other configurations; band structures and DOS by HSE06, and geometrical and band structures of other hybrid structure under the E-field. See DOI: 10.1039/c5ra18114c

2015-11

Volltextzugriff (PDF)

Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond Study

Journal of chemical theory and computation, 2008-12, Vol.4 (12), p.2101

2008

Volltextzugriff (PDF)

Covalent Excited States of Polyenes C 2 n H 2 n +2 ( n = 2−8) and Polyenyl Radicals C 2 n -1 H 2 n +1 ( n = 2−8): An Ab Initio Valence Bond Study

Journal of chemical theory and computation, 2008-12, Vol.4 (12), p.2101-2107

2008

Volltextzugriff (PDF)

The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond

Angewandte Chemie, 2009-02, Vol.121 (8), p.1435-1438

2009

Volltextzugriff (PDF)

The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond

Angewandte Chemie, 2009-02, Vol.121 (8), p.1435-1438

2009

Volltextzugriff (PDF)

1 – 25 von 50

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(49)
Mit Volltextzugriff
(49)

Publikationsform

Artikel
(50)

Sprache

Englisch
(49)
Deutsch
(1)

Erscheinungsjahr

n.n

Thema

Science & Technology
(35)
Physical Sciences
(17)
Chemistry
(16)
Life Sciences & Biomedicine
(16)
Animals
(10)
Poultry
(10)
Chemistry, Physical
(8)
Chickens - Genetics
(8)
Genes
(8)
Genetic Aspects
(8)
Chickens
(7)
Gene Expression
(7)
Physics
(7)
Physics, Atomic, Molecular & Chemical
(7)
Chemistry, Multidisciplinary
(6)
Body Weight
(5)
Genomics
(5)
Multidisciplinary Sciences
(5)
Science & Technology - Other Topics
(5)
Biotechnology & Applied Microbiology
(4)

15 weitere anzeigen...

Weniger anzeigen...

Zeitschrift / Serie

5 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(1)
... seit 90 Tagen
(2)

Menü

Weitere Dienste

Einstellungen

Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference

Inverted Bond in [1.1.1]Propellane is a Charge-Shift Bond

The mechanism of alopolysaccharide protecting ulceralive colitis

Double-Boron Heterocyclic Carbenes: Computational Study of the Diels-Alder Reactions

Designing thermally activated delayed fluorescence emitters with through-space charge transfer: a theoretical study

Cross Conjugation in Polyenes and Related Hydrocarbons: What Can Be Learned from Valence Bond Theory about Single-Molecule Conductance?

Band gap opening of bilayer graphene by graphene oxide support doping

Valence Bond Theory Reveals Hidden Delocalized Diradical Character of Polyenes

Carbonyl (C&z.dbd;O)/N-based thermally activated delayed fluorescent materials with high efficiency and fast reverse intersystem crossing rate: a theoretical design and study

Enhancing Reverse Intersystem Crossing in Triptycene-TADF Emitters: Theoretical Insights into Reorganization Energy and Heavy Atom Effects

Oxygen‐Molecule Adsorption and Dissociation on BCN Graphene: A First‐Principles Study

Thermally activated delayed fluorescence materials with aggregation-induced emission properties: a QM/MM study

Realizing semiconductor to metal transition in graphitic ZnO and MoS2 nanocomposite with external electric field

Bonding Conundrums in the C 2 Molecule: A Valence Bond Study

Bonding Conundrums in the C2 Molecule: A Valence Bond Study

Predicting and Designing Thermally Activated Delayed Fluorescence Molecules with Balanced Δ E ST and Transition Dipole Moment

Predicting and Designing Thermally Activated Delayed Fluorescence Molecules with Balanced ΔEST and Transition Dipole Moment

Realizing semiconductor to metal transition in graphitic ZnO and MoS 2 nanocomposite with external electric field

Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond Study

Covalent Excited States of Polyenes C2nH2n+2 (n = 2-8) and Polyenyl Radicals C2n-1H2n+1 (n = 2-8): An Ab Initio Valence Bond Study

Covalent Excited States of Polyenes C 2 n H 2 n +2 ( n = 2−8) and Polyenyl Radicals C 2 n -1 H 2 n +1 ( n = 2−8): An Ab Initio Valence Bond Study

The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond

The Inverted Bond in [1.1.1]Propellane is a Charge‐Shift Bond

Suchergebnisse filtern