UB Paderborn / Katalog / Suche / in CDI

1 – 25 von 359

Sortiert nach

Transferable Potentials for Phase Equilibria. 10. Explicit-Hydrogen Description of Substituted Benzenes and Polycyclic Aromatic Compounds

The journal of physical chemistry. B, 2013-01, Vol.117 (1), p.273-288

2013

Volltextzugriff (PDF)

Simultaneously Enhanced Hydrophilicity and Stability of a Metal‐Organic Framework via Post‐Synthetic Modification for Water Vapor Sorption/Desorption

Angewandte Chemie (International ed.), 2022-11, Vol.61 (44), p.e202209034-n/a

International ed. in English, 2022

Volltextzugriff (PDF)

Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets

Nature (London), 2017-03, Vol.543 (7647), p.690-694

2017

Volltextzugriff (PDF)

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

The journal of physical chemistry. B, 2009-09, Vol.113 (35), p.11959-11964

2009

Volltextzugriff (PDF)

One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport

Nature materials, 2020-04, Vol.19 (4), p.443-449

2020

Volltextzugriff (PDF)

Machine learning using host/guest energy histograms to predict adsorption in metal–organic frameworks: Application to short alkanes and Xe/Kr mixtures

The Journal of chemical physics, 2021-07, Vol.155 (1), p.014701-014701

2021

Volltextzugriff (PDF)

Multicomponent Adsorption of Alcohols onto Silicalite‑1 from Aqueous Solution: Isotherms, Structural Analysis, and Assessment of Ideal Adsorbed Solution Theory

Langmuir, 2012-11, Vol.28 (44), p.15566-15576

2012

Volltextzugriff (PDF)

Transferable Potentials for Phase Equilibria. 9. Explicit Hydrogen Description of Benzene and Five-Membered and Six-Membered Heterocyclic Aromatic Compounds

The journal of physical chemistry. B, 2007-09, Vol.111 (36), p.10790-10799

2007

Volltextzugriff (PDF)

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

Nature communications, 2015-01, Vol.6 (1), p.5912-5912, Article 5912

2015

Volltextzugriff (PDF)

Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-05, Vol.117 (18), p.3819-3825

2013

Volltextzugriff (PDF)

Mobile phase effects in reversed-phase liquid chromatography: A comparison of acetonitrile/water and methanol/water solvents as studied by molecular simulation

Journal of Chromatography A, 2011-04, Vol.1218 (16), p.2203-2213

2011

Volltextzugriff (PDF)

Adsorption of glucose into zeolite beta from aqueous solution

AIChE journal, 2013-09, Vol.59 (9), p.3523-3529

2013

Volltextzugriff (PDF)

First principles Monte Carlo simulations of unary and binary adsorption: CO2, N2, and H2O in Mg-MOF-74

Chemical communications (Cambridge, England), 2018, Vol.54 (77), p.10816-10819

2018

Volltextzugriff (PDF)

Supersaturated calcium carbonate solutions are classical

Science advances, 2018-01, Vol.4 (1), p.eaao6283-eaao6283

2018

Volltextzugriff (PDF)

Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer

Proceedings of the National Academy of Sciences - PNAS, 2012-11, Vol.109 (46), p.18713-18718

2012

Volltextzugriff (PDF)

Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal–Organic Framework Adsorbents and Membranes

Chemical reviews, 2017-07, Vol.117 (14), p.9755-9803

2017

Volltextzugriff (PDF)

Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

AIChE journal, 2001-07, Vol.47 (7), p.1676-1682

2001

Volltextzugriff (PDF)

Molecular simulation studies of reversed-phase liquid chromatography

Journal of Chromatography A, 2013-04, Vol.1287, p.60-82

2013

Volltextzugriff (PDF)

Microscopic Structure and Solvation in Dry and Wet Octanol

The journal of physical chemistry. B, 2006-03, Vol.110 (8), p.3555-3563

2006

Volltextzugriff (PDF)

Retention Mechanism in Reversed-Phase Liquid Chromatography: A Molecular Perspective

Analytical chemistry (Washington), 2007-09, Vol.79 (17), p.6551-6558

2007

Volltextzugriff (PDF)

Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

AIChE journal, 2021-03, Vol.67 (3), p.n/a

2021

Volltextzugriff (PDF)

Synthesis, Simulation, and Self-Assembly of a Model Amphiphile To Push the Limits of Block Polymer Nanopatterning

Nano letters, 2019-07, Vol.19 (7), p.4458-4462

2019

Volltextzugriff (PDF)

Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations

The journal of physical chemistry letters, 2014-02, Vol.5 (4), p.666-670

2014

Volltextzugriff (PDF)

Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning

Science advances, 2021-07, Vol.7 (30)

2021

Volltextzugriff (PDF)

Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional

Physical chemistry chemical physics : PCCP, 2011-11, Vol.13 (44), p.19943-1995

2011

Volltextzugriff (PDF)

1 – 25 von 359

Suche als RSS-Feed

Suchergebnisse filtern

Filter anzeigen

Nur zeigen

Geprüft (Peer-Review)
(341)
Mit Volltextzugriff
(355)

Publikationsform

Sprache

Erscheinungsjahr

n.n

Thema

Science & Technology
(272)
Chemistry
(259)
Physical Sciences
(251)
Chemistry, Physical
(169)
Technology
(93)
Physics
(72)
Engineering
(61)
Physics, Atomic, Molecular & Chemical
(58)
Chemistry, Multidisciplinary
(56)
Thermodynamics
(56)
Engineering, Chemical
(55)
Exact Sciences And Technology
(55)
Inorganic, Organic, Physical, And Analytical Chemistry
(44)
Materials Science
(42)
Materials Science, Multidisciplinary
(36)
Adsorption
(35)
Computer Simulation
(34)
Science & Technology - Other Topics
(31)
General And Physical Chemistry
(28)
Monte Carlo Method
(26)

15 weitere anzeigen...

Weniger anzeigen...

Neu hinzugefügt

Menü

Weitere Dienste

Einstellungen

Transferable Potentials for Phase Equilibria. 10. Explicit-Hydrogen Description of Substituted Benzenes and Polycyclic Aromatic Compounds

Simultaneously Enhanced Hydrophilicity and Stability of a Metal‐Organic Framework via Post‐Synthetic Modification for Water Vapor Sorption/Desorption

Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets

Isobaric−Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions

One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport

Machine learning using host/guest energy histograms to predict adsorption in metal–organic frameworks: Application to short alkanes and Xe/Kr mixtures

Multicomponent Adsorption of Alcohols onto Silicalite‑1 from Aqueous Solution: Isotherms, Structural Analysis, and Assessment of Ideal Adsorbed Solution Theory

Transferable Potentials for Phase Equilibria. 9. Explicit Hydrogen Description of Benzene and Five-Membered and Six-Membered Heterocyclic Aromatic Compounds

Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling

Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine

Mobile phase effects in reversed-phase liquid chromatography: A comparison of acetonitrile/water and methanol/water solvents as studied by molecular simulation

Adsorption of glucose into zeolite beta from aqueous solution

First principles Monte Carlo simulations of unary and binary adsorption: CO2, N2, and H2O in Mg-MOF-74

Supersaturated calcium carbonate solutions are classical

Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer

Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal–Organic Framework Adsorbents and Membranes

Vapor-liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

Molecular simulation studies of reversed-phase liquid chromatography

Microscopic Structure and Solvation in Dry and Wet Octanol

Retention Mechanism in Reversed-Phase Liquid Chromatography: A Molecular Perspective

Open‐source molecular modeling software in chemical engineering focusing on the Molecular Simulation Design Framework

Synthesis, Simulation, and Self-Assembly of a Model Amphiphile To Push the Limits of Block Polymer Nanopatterning

Water 26-mers Drawn from Bulk Simulations: Benchmark Binding Energies for Unprecedentedly Large Water Clusters and Assessment of the Electrostatically Embedded Three-Body and Pairwise Additive Approximations

Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning

Liquid structures of water, methanol, and hydrogen fluoride at ambient conditions from first principles molecular dynamics simulations with a dispersion corrected density functional

Suchergebnisse filtern