UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 80

Sortiert nach

A two-ward acute care hospital outbreak of SARS-CoV-2 delta variant including a point-source outbreak associated with the use of a mobile vital signs cart and sub-optimal doffing of personal protective equipment

The Journal of hospital infection, 2023-01, Vol.131, p.1-11

2023

Volltextzugriff (PDF)

Large‐Sized Ammonia Clusters and Solvation Energies of the Proton in Ammonia

Journal of computational chemistry, 2020-01, Vol.41 (1), p.21-30

2020

Volltextzugriff (PDF)

Binding energies and isomer distribution of neutral acetonitrile clusters

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

2020

Volltextzugriff (PDF)

Theoretical infrared spectrum of the ethanol hexamer

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

2020

Volltextzugriff (PDF)

Structure and Spectroscopy of Hydrated Sodium Ions at Different Temperatures and the Cluster Stability Rules

Journal of chemical theory and computation, 2016-04, Vol.12 (4), p.1656-1673

2016

Volltextzugriff (PDF)

Exploration of the potential energy surfaces of small ethanol clusters

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (23), p.1321-13213

2020

Volltextzugriff (PDF)

Solvation energies of the proton in methanol revisited and temperature effects

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (46), p.29184-29206

2018

Volltextzugriff (PDF)

Exploration of the potential energy surface of the ethanol hexamer

The Journal of chemical physics, 2019-03, Vol.150 (12), p.124308-124308

2019

Volltextzugriff (PDF)

Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20

The Journal of chemical physics, 2018-07, Vol.149 (2), p.024304-024304

2018

Volltextzugriff (PDF)

Structures and infrared spectroscopy of large sized protonated ammonia clusters

The Journal of chemical physics, 2018-12, Vol.149 (24), p.244301-244301

2018

Volltextzugriff (PDF)

Revision of the Thermodynamics of the Proton in Gas Phase

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2014-11, Vol.118 (46), p.11090-11097

2014

Volltextzugriff (PDF)

Determination of the absolute solvation free energy and enthalpy of the proton in solutions

Journal of molecular liquids, 2021-01, Vol.322, p.114919, Article 114919

2021

Volltextzugriff (PDF)

Thermodynamics of the Electron Revisited and Generalized

Journal of chemical theory and computation, 2013-07, Vol.9 (7), p.3165-3169

Fifen, Jean Jules

2013

Volltextzugriff (PDF)

Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10–16

The Journal of chemical physics, 2017-01, Vol.146 (4), p.044305-044305

2017

Volltextzugriff (PDF)

Ionic radii of hydrated sodium cation from QTAIM

The Journal of chemical physics, 2019-01, Vol.150 (3), p.034304-034304

2019

Volltextzugriff (PDF)

Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid : DFT and TD-DFT studies

Computational and theoretical chemistry, 2011-06, Vol.966 (1), p.232-243

2011

Volltextzugriff (PDF)

Optimal management of international reserves

Review of international economics, 2024-07

2024

Volltextzugriff (PDF)

Solvation energies of the ferrous ion in water and in ammonia at various temperatures

Journal of molecular modeling, 2024-02, Vol.30 (2), p.52-52, Article 52

2024

Volltextzugriff (PDF)

Adsorption of some cationic dyes onto two models of graphene oxide

Journal of molecular modeling, 2023, Vol.29 (12), p.380-380, Article 380

2023

Volltextzugriff (PDF)

Structures of protonated methanol clusters and temperature effects

The Journal of chemical physics, 2013-05, Vol.138 (18), p.184301-184301

2013

Volltextzugriff (PDF)

Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions

Theoretical chemistry accounts, 2020-11, Vol.139 (11), Article 163

2020

Volltextzugriff (PDF)

Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (43), p.29226-29242

2015

Volltextzugriff (PDF)

Structures and spectroscopy of protonated ammonia clusters at different temperatures

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (38), p.26827-26843

2016

Volltextzugriff (PDF)

Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function

Molecular physics, 2022-06, Vol.120 (12)

2022

Volltextzugriff (PDF)

Solvation energies of the proton in ammonia explicitly versus temperature

The Journal of chemical physics, 2017-04, Vol.146 (13), p.134308-134308

2017

Volltextzugriff (PDF)

1 – 25 von 80

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(73)
Mit Volltextzugriff
(80)

Publikationsform

Artikel
(80)

Sprache

Englisch
(78)
Japanisch
(9)

Erscheinungsjahr

n.n

Thema

Science & Technology
(50)
Chemistry
(38)
Physical Sciences
(37)
Chemistry, Physical
(25)
Physics
(21)
Physics, Atomic, Molecular & Chemical
(21)
Isomers
(17)
Ammonia
(14)
Life Sciences & Biomedicine
(14)
Solvation
(14)
Clusters
(13)
Chemistry, Multidisciplinary
(9)
Enthalpy
(9)
Temperature Dependence
(9)
Mathematical Analysis
(8)
Binding Energy
(7)
Free Energy
(7)
Temperature
(7)
Antioxidants
(6)
Dft
(6)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

A two-ward acute care hospital outbreak of SARS-CoV-2 delta variant including a point-source outbreak associated with the use of a mobile vital signs cart and sub-optimal doffing of personal protective equipment

Large‐Sized Ammonia Clusters and Solvation Energies of the Proton in Ammonia

Binding energies and isomer distribution of neutral acetonitrile clusters

Theoretical infrared spectrum of the ethanol hexamer

Structure and Spectroscopy of Hydrated Sodium Ions at Different Temperatures and the Cluster Stability Rules

Exploration of the potential energy surfaces of small ethanol clusters

Solvation energies of the proton in methanol revisited and temperature effects

Exploration of the potential energy surface of the ethanol hexamer

Structures and spectroscopy of the ammonia eicosamer, (NH3)n=20

Structures and infrared spectroscopy of large sized protonated ammonia clusters

Revision of the Thermodynamics of the Proton in Gas Phase

Determination of the absolute solvation free energy and enthalpy of the proton in solutions

Thermodynamics of the Electron Revisited and Generalized

Structures and spectroscopy of medium size protonated ammonia clusters at different temperatures, H+(NH3)10–16

Ionic radii of hydrated sodium cation from QTAIM

Solvent effects on the antioxidant activity of 3,4-dihydroxyphenylpyruvic acid : DFT and TD-DFT studies

Optimal management of international reserves

Solvation energies of the ferrous ion in water and in ammonia at various temperatures

Adsorption of some cationic dyes onto two models of graphene oxide

Structures of protonated methanol clusters and temperature effects

Rotational thermodynamic parameters for symmetric-top, linear-top and spherical-top molecules: classical versus quantum approach and New analytical partition functions

Structures and relative stabilities of ammonia clusters at different temperatures: DFT vs. ab initio

Structures and spectroscopy of protonated ammonia clusters at different temperatures

Rotational thermodynamic parameters for asymmetric-top molecules: classical vs. quantum approaches and new analytical partition function

Solvation energies of the proton in ammonia explicitly versus temperature

Suchergebnisse filtern