UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 25

Sortiert nach

Relation between the nature of the surface facets and the reactivity of Cu2O nanostructures anchored on TiO2NT@PDA electrodes in the photoelectrocatalytic conversion of CO2 to methanol

Applied catalysis. B, Environmental, 2020-02, Vol.261, p.118221, Article 118221

2020

Volltextzugriff (PDF)

In situ FTIR insights into the electrooxidation mechanism of glucose as a function of the surface facets of Cu2O-based electrocatalytic sensors

Journal of catalysis, 2019-07, Vol.375, p.95-103

2019

Volltextzugriff (PDF)

How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?

Journal of chemical theory and computation, 2017-11, Vol.13 (11), p.5291-5316

2017

Volltextzugriff (PDF)

Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix

Chemphyschem, 2022-04, Vol.23 (8), p.e202200039-n/a

2022

Volltextzugriff (PDF)

Protocol for optically pumping AlH to a pure quantum state

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (42), p.24423-2443

2020

Volltextzugriff (PDF)

Precisely spun super rotors

Nature communications, 2021-04, Vol.12 (1), p.2201-2201, Article 2201

2021

Volltextzugriff (PDF)

Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach

Physical chemistry chemical physics : PCCP, 2017-05, Vol.19 (21), p.13860-13867

2017

Volltextzugriff (PDF)

Cerium oxide-sulfur nanohybrids: Combining the robust adsorption of polysulfides with enhanced redox kinetics to improve the energy Storage capabilities of Li-S batteries

Electrochimica acta, 2021-06, Vol.382, p.138284, Article 138284

2021

Volltextzugriff (PDF)

Canonical Unified Statistical Rate Constants Using a High-Level Composite Coupled Cluster Energy Scheme for the CH4 + CH Reaction

Journal of the Brazilian Chemical Society, 2024, Vol.35 (2)

2024

Volltextzugriff (PDF)

Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study

New journal of chemistry, 2019-08, Vol.43 (31), p.12257-12263

2019

Volltextzugriff (PDF)

Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu2O‑Based Electrocatalytic Sensors?

ACS catalysis, 2018-07, Vol.8 (7), p.6265-6272

2018

Volltextzugriff (PDF)

Formation of the non-classical interhalide anion [ICl] in methyl-bambus[6]uril cavity

New journal of chemistry, 2020-02, Vol.44 (7), p.2697-27

2020

Volltextzugriff (PDF)

Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K

The journal of physical chemistry letters, 2014-02, Vol.5 (4), p.706-712

2014

Volltextzugriff (PDF)

Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-12, Vol.118 (51), p.12080-12088

2014

Volltextzugriff (PDF)

Optical Pumping of TeH+: Implications for the Search for Varying mp/me

Atoms, 2018-09, Vol.6 (3), p.53

2018

Volltextzugriff (PDF)

Ab initio characterization of the lowest-lying electronic states of the NaAs molecule

Computational and theoretical chemistry, 2015-07, Vol.1064, p.56-61

2015

Volltextzugriff (PDF)

Thermal Rate Constants for the O(3P) + HBr and O(3P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (48), p.12703-12710

2013

Volltextzugriff (PDF)

Computationally Designed 1,2,4-Triazolylidene-Derived N‑Heterocyclic Olefins for CO2 Capture, Activation, and Storage

ACS omega, 2017-01, Vol.2 (1), p.299-307

2017

Volltextzugriff (PDF)

CO2 Sequestration by Triazolylidene‐Derived N‐Heterocyclic Olefins: A Computational Study

ChemistrySelect (Weinheim), 2017-06, Vol.2 (17), p.4648-4654

2017

Volltextzugriff (PDF)

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

The Journal of chemical physics, 2011-07, Vol.135 (4), p.044308-044308-6

2011

Volltextzugriff (PDF)

A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule

International journal of quantum chemistry, 2011-06, Vol.111 (7-8), p.1694-1700

2011

Volltextzugriff (PDF)

l -Cysteine electrooxidation in alkaline and acidic media: a combined spectroelectrochemical and computational study

RSC advances, 2017, Vol.7 (13), p.7492-7501

2017

Volltextzugriff (PDF)

Evolution of critically ill patients with gastroschisis from three tertiary centers

Clinics (São Paulo, Brazil), 2011-01, Vol.66 (1), p.17-20

2011

Volltextzugriff (PDF)

Comunidade arbórea de um continuum entre floresta paludosa e de encosta em Coqueiral, Minas Gerais, Brasil

Revista brasileira de botânica, 2005-06, Vol.28 (2), p.203-218

2005

Volltextzugriff (PDF)

Comunidade arbórea de um continuum entre floresta paludosa e de encosta em Coqueiral, Minas Gerais, Brasil

Revista brasileira de botânica, 2005-06, Vol.28 (2), p.203-218

2005

Volltextzugriff (PDF)

1 – 25 von 25

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(25)
Mit Volltextzugriff
(25)

Publikationsform

Artikel
(25)

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(20)
Physical Sciences
(18)
Chemistry
(17)
Chemistry, Physical
(11)
Physics
(8)
Physics, Atomic, Molecular & Chemical
(7)
Chemistry, Multidisciplinary
(6)
Broadband
(3)
Optical Pumping
(3)
Cooling
(2)
Cu2o
(2)
Electronic Structure
(2)
Engineering
(2)
Engineering, Chemical
(2)
Equilibrium
(2)
Infrared Lasers
(2)
Kinetics
(2)
Lasers
(2)
Mathematical Analysis
(2)
Organic Chemistry
(2)

15 weitere anzeigen...

Weniger anzeigen...

Menü

Weitere Dienste

Einstellungen

Relation between the nature of the surface facets and the reactivity of Cu2O nanostructures anchored on TiO2NT@PDA electrodes in the photoelectrocatalytic conversion of CO2 to methanol

In situ FTIR insights into the electrooxidation mechanism of glucose as a function of the surface facets of Cu2O-based electrocatalytic sensors

How To Arrive at Accurate Benchmark Values for Transition Metal Compounds: Computation or Experiment?

Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2Σ+) by H2 Based on an Improved Full‐Dimensional Ab Initio Diabatic Potential Energy Matrix

Protocol for optically pumping AlH to a pure quantum state

Precisely spun super rotors

Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach

Cerium oxide-sulfur nanohybrids: Combining the robust adsorption of polysulfides with enhanced redox kinetics to improve the energy Storage capabilities of Li-S batteries

Canonical Unified Statistical Rate Constants Using a High-Level Composite Coupled Cluster Energy Scheme for the CH4 + CH Reaction

Unveiling the potential of scandium complexes for methane C-H bond activation: a computational study

Why Could the Nature of Surface Facets Lead to Differences in the Activity and Stability of Cu2O‑Based Electrocatalytic Sensors?

Formation of the non-classical interhalide anion [ICl] in methyl-bambus[6]uril cavity

Quasiclassical Trajectory Calculations of the Rate Constant of the OH + HBr → Br + H2O Reaction Using a Full-Dimensional Ab Initio Potential Energy Surface Over the Temperature Range 5 to 500 K

Energy Disposal and Thermal Rate Constants for the OH + HBr and OH + DBr Reactions: Quasiclassical Trajectory Calculations on an Accurate Potential Energy Surface

Optical Pumping of TeH+: Implications for the Search for Varying mp/me

Ab initio characterization of the lowest-lying electronic states of the NaAs molecule

Thermal Rate Constants for the O(3P) + HBr and O(3P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations

Computationally Designed 1,2,4-Triazolylidene-Derived N‑Heterocyclic Olefins for CO2 Capture, Activation, and Storage

CO2 Sequestration by Triazolylidene‐Derived N‐Heterocyclic Olefins: A Computational Study

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule

l -Cysteine electrooxidation in alkaline and acidic media: a combined spectroelectrochemical and computational study

Evolution of critically ill patients with gastroschisis from three tertiary centers

Comunidade arbórea de um continuum entre floresta paludosa e de encosta em Coqueiral, Minas Gerais, Brasil

Comunidade arbórea de um continuum entre floresta paludosa e de encosta em Coqueiral, Minas Gerais, Brasil

Suchergebnisse filtern