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...

Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-12, Vol.116 (50), p.12373-12380

2012

Volltextzugriff (PDF)

Investigation of the Luminescence of [UO2X4]2– (X = Cl, Br) Complexes in the Organic Phase Using Time-Resolved Laser-Induced Fluorescence Spectroscopy and Quantum Chemical Simulations

Inorganic chemistry, 2020-05, Vol.59 (9), p.5896-5906

2020

Volltextzugriff (PDF)

Early Steps in the O2 Scavenger Process in the Aqueous Phase: Hydrazine vs DEHA

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2023-12, Vol.127 (48), p.10104-10117

2023

Volltextzugriff (PDF)

Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data

Inorganic chemistry, 2017-12, Vol.56 (24), p.15231-15240

2017

Volltextzugriff (PDF)

Protein–ligand interactions from a quantum fragmentation perspective: The case of the SARS-CoV-2 main protease interacting with α-ketoamide inhibitors

The Journal of chemical physics, 2023-06, Vol.158 (21)

2023

Volltextzugriff (PDF)

Theoretical Study of Plutonium(IV) Complexes Formed within the PUREX Process: A Proposal of a Plutonium Surrogate in Fire Conditions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-10, Vol.118 (43), p.10073-10080

2014

Volltextzugriff (PDF)

Influence of the First Coordination of Uranyl on Its Luminescence Properties: A Study of Uranyl Binitrate with N,N‑Dialkyl Amide DEHiBA and Water

Inorganic chemistry, 2022-01, Vol.61 (2), p.890-901

2022

Volltextzugriff (PDF)

Experimental and Theoretical Study of the Reaction of F2 with Thiirane

Molecules (Basel, Switzerland), 2024-07, Vol.29 (15), p.3636

2024

Volltextzugriff (PDF)

Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce(H2O)n3+ using statistical methods and quantum chemistry calculations

The Journal of chemical physics, 2024-10, Vol.161 (14)

2024

Volltextzugriff (PDF)

Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations

Chemistry : a European journal, 2024-03, Vol.30 (15), p.e202304068-n/a

2024

Volltextzugriff (PDF)

How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?

Inorganic chemistry, 2023-06, Vol.62 (24), p.9273-9284

2023

Volltextzugriff (PDF)

Carbon-sulfur bond strength in methanesulfinate and benzenesulfinate ligands directs decomposition of Np() and Pu() coordination complexes

Dalton transactions : an international journal of inorganic chemistry, 2020-03, Vol.49 (1), p.3293-333

2020

Volltextzugriff (PDF)

Protactinium and the intersection of actinide and transition metal chemistry

Nature communications, 2018-02, Vol.9 (1), p.622-9, Article 622

2018

Volltextzugriff (PDF)

Coordination and thermodynamic properties of aqueous protactinium() by first-principle calculations

Physical chemistry chemical physics : PCCP, 2023-04, Vol.25 (14), p.133-141

2023

Volltextzugriff (PDF)

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution

The Journal of chemical physics, 2019-11, Vol.151 (17), p.174504-174504

2019

Volltextzugriff (PDF)

Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials

Inorganic chemistry, 2021-07, Vol.60 (13), p.9727-9744

2021

Volltextzugriff (PDF)

Unraveling the Ground State and Excited State Structures and Dynamics of Hydrated Ce3+ Ions by Experiment and Theory

Inorganic chemistry, 2018-08, Vol.57 (16), p.10111-10121

2018

Volltextzugriff (PDF)

Revisiting the Complexation of Cm(III) with Aqueous Phosphates: What Can We Learn from the Complex Structures Using Luminescence Spectroscopy and Ab Initio Simulations?

Inorganic chemistry, 2021-07, Vol.60 (14), p.10656-10673

2021

Volltextzugriff (PDF)

Geometries, interaction energies and bonding in [Po(H 2 O) n ] 4+ and [PoCl n ] 4− n complexes

Physical chemistry chemical physics : PCCP, 2022-11, Vol.24 (42), p.26180-26189

2022

Volltextzugriff (PDF)

Interoperable workflows by exchanging grid-based data between quantum-chemical program packages

The Journal of chemical physics, 2024-04, Vol.160 (16)

2024

Volltextzugriff (PDF)

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Journal of chemical theory and computation, 2022-10, Vol.18 (10), p.5992-6009

2022

Volltextzugriff (PDF)

Linking Solution Structures and Energetics: Thorium Nitrate Complexes

The journal of physical chemistry. B, 2017-09, Vol.121 (36), p.8577-8584

2017

Volltextzugriff (PDF)

Accurate Predictions of Volatile Plutonium Thermodynamic Properties

Inorganic chemistry, 2019-11, Vol.58 (21), p.14507-14521

2019

Volltextzugriff (PDF)

Influence of Alkaline Earth Metal Ions on Structures and Luminescent Properties of NamMnUO2(CO3)3(4-m-2n)- (M = Mg, Ca; m, n = 0-2): Time-Resolved Fluorescence Spectroscopy and Ab Initio Studies

Inorganic chemistry, 2020-10, Vol.59 (20), p.15036-15049

2020

Volltextzugriff (PDF)

Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine

Physical chemistry chemical physics : PCCP, 2020-01, Vol.22 (4), p.2343-235

2020

Volltextzugriff (PDF)

1 – 25 von 287

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(258)
Mit Volltextzugriff
(276)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(146)
Physics
(104)
Chemistry
(103)
Physical Sciences
(103)
Chemical Physics
(78)
Chemical Sciences
(57)
Chemistry, Physical
(55)
Or Physical Chemistry
(54)
Theoretical And
(54)
Physics, Atomic, Molecular & Chemical
(51)
Life Sciences & Biomedicine
(44)
Life Sciences
(29)
Chemistry, Inorganic & Nuclear
(28)
Humans
(26)
Quantum Chemistry
(18)
Female
(14)
Male
(13)
Middle Aged
(13)
Natural Sciences
(13)
Naturvetenskap
(13)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

... seit 30 Tagen
(2)
... seit 90 Tagen
(8)

Menü

Weitere Dienste

Einstellungen

Probing the Nature of Chemical Bonding in Uranyl(VI) Complexes with Quantum Chemical Methods

Investigation of the Luminescence of [UO2X4]2– (X = Cl, Br) Complexes in the Organic Phase Using Time-Resolved Laser-Induced Fluorescence Spectroscopy and Quantum Chemical Simulations

Early Steps in the O2 Scavenger Process in the Aqueous Phase: Hydrazine vs DEHA

Structure and Bonding in Uranyl(VI) Peroxide and Crown Ether Complexes; Comparison of Quantum Chemical and Experimental Data

Protein–ligand interactions from a quantum fragmentation perspective: The case of the SARS-CoV-2 main protease interacting with α-ketoamide inhibitors

Theoretical Study of Plutonium(IV) Complexes Formed within the PUREX Process: A Proposal of a Plutonium Surrogate in Fire Conditions

Influence of the First Coordination of Uranyl on Its Luminescence Properties: A Study of Uranyl Binitrate with N,N‑Dialkyl Amide DEHiBA and Water

Experimental and Theoretical Study of the Reaction of F2 with Thiirane

Toward a realistic theoretical electronic spectra of metal aqua ions in solution: The case of Ce(H2O)n3+ using statistical methods and quantum chemistry calculations

Stability of the Protactinium(V) Mono‐Oxo Cation Probed by First‐Principle Calculations

How Does Bending the Uranyl Unit Influence Its Spectroscopy and Luminescence?

Carbon-sulfur bond strength in methanesulfinate and benzenesulfinate ligands directs decomposition of Np() and Pu() coordination complexes

Protactinium and the intersection of actinide and transition metal chemistry

Coordination and thermodynamic properties of aqueous protactinium() by first-principle calculations

Ion hydration free energies and water surface potential in water nano drops: The cluster pair approximation and the proton hydration Gibbs free energy in solution

Structure–Property Relationships in Photoluminescent Bismuth Halide Organic Hybrid Materials

Unraveling the Ground State and Excited State Structures and Dynamics of Hydrated Ce3+ Ions by Experiment and Theory

Revisiting the Complexation of Cm(III) with Aqueous Phosphates: What Can We Learn from the Complex Structures Using Luminescence Spectroscopy and Ab Initio Simulations?

Geometries, interaction energies and bonding in [Po(H 2 O) n ] 4+ and [PoCl n ] 4− n complexes

Interoperable workflows by exchanging grid-based data between quantum-chemical program packages

Frozen-Density Embedding for Including Environmental Effects in the Dirac-Kohn–Sham Theory: An Implementation Based on Density Fitting and Prototyping Techniques

Linking Solution Structures and Energetics: Thorium Nitrate Complexes

Accurate Predictions of Volatile Plutonium Thermodynamic Properties

Influence of Alkaline Earth Metal Ions on Structures and Luminescent Properties of NamMnUO2(CO3)3(4-m-2n)- (M = Mg, Ca; m, n = 0-2): Time-Resolved Fluorescence Spectroscopy and Ab Initio Studies

Properties of the tetravalent actinide series in aqueous phase from a microscopic simulation self-consistent engine

Suchergebnisse filtern