Henning Henschel

Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Aro, Olli-Pekka; Casula, Victor; Hänninen, Nina E.; Karjalainen, Jouni et al.

Ingår i Heliyon, 2025

• DOI för Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

Mailhiot, Sarah E.; Tolkkinen, Katja; Henschel, Henning; Mareš, Jiří et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3441-3450, 2024

• DOI för Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions
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Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

Löffler, Paul; Lai, Adelene; Henschel, Henning; Spilsbury, Francis et al.

Ingår i ACS - ES & T Water, s. 1949-1951, 2024

• DOI för Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis
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SPICY: a method for single scan rotating frame relaxometry

Tolkkinen, Katja; Mailhiot, Sarah; Selent, Anne; Mankinen, Otto et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 13164-13169, 2023

• DOI för SPICY: a method for single scan rotating frame relaxometry
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Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide

Karjalainen, Jouni; Henschel, Henning; Nissi, Mikko J.; Nieminen, Miika T. et al.

Ingår i Journal of Physical Chemistry B, s. 2538-2551, 2022

• DOI för Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide
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Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Aro, Olli-Pekka; Casula, Victor; Hänninen, Nina E.; Karjalainen, Jouni et al.

Ingår i Heliyon, 2025

• DOI för Effects of collagen and chondroitin sulfate on relaxation at multiple magnetic field strengths

Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

Mailhiot, Sarah E.; Tolkkinen, Katja; Henschel, Henning; Mareš, Jiří et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3441-3450, 2024

• DOI för Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions
• Ladda ner fulltext (pdf) av Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

Löffler, Paul; Lai, Adelene; Henschel, Henning; Spilsbury, Francis et al.

Ingår i ACS - ES & T Water, s. 1949-1951, 2024

• DOI för Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis
• Ladda ner fulltext (pdf) av Enhanced Risk Assessment of Transformation Products through Chemical Similarity Analysis

SPICY: a method for single scan rotating frame relaxometry

Tolkkinen, Katja; Mailhiot, Sarah; Selent, Anne; Mankinen, Otto et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 13164-13169, 2023

• DOI för SPICY: a method for single scan rotating frame relaxometry
• Ladda ner fulltext (pdf) av SPICY: a method for single scan rotating frame relaxometry

Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide

Karjalainen, Jouni; Henschel, Henning; Nissi, Mikko J.; Nieminen, Miika T. et al.

Ingår i Journal of Physical Chemistry B, s. 2538-2551, 2022

• DOI för Dipolar Relaxation of Water Protons in the Vicinity of a Collagen-like Peptide
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An Intuitively Understandable Quality Measure for Theoretical Vibrational Spectra

Henschel, Henning; Van der Spoel, David

Ingår i The Journal of Physical Chemistry Letters, s. 5471-5475, 2020

• DOI för An Intuitively Understandable Quality Measure for Theoretical Vibrational Spectra
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A potential for molecular simulation of compounds with linear moieties

Van der Spoel, David; Henschel, Henning; van Maaren, Paul J.; Ghahremanpour, Mohammad M. et al.

Ingår i Journal of Chemical Physics, 2020

• DOI för A potential for molecular simulation of compounds with linear moieties
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Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

Henschel, Henning; Andersson, Alfred T.; Jespers, Willem; Ghahremanpour, Mohammad Mehdi et al.

Ingår i Journal of Chemical Theory and Computation, s. 3307-3315, 2020

• DOI för Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields
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Mechanism of the Oxidation of Heptafulvenes to Tropones Studied by Online Mass Spectrometry and Density Functional Theory Calculations

Nilsson, Sofia M. E.; Henschel, Henning; Scotti, Gianmario; Haapala, Markus et al.

Ingår i The Journal of Organic Chemistry, s. 13975-13982, 2019

• DOI för Mechanism of the Oxidation of Heptafulvenes to Tropones Studied by Online Mass Spectrometry and Density Functional Theory Calculations

New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes

Maattaenen, Anni; Merikanto, Joonas; Henschel, Henning; Duplissy, Jonathan et al.

Ingår i Journal of Geophysical Research-Atmospheres, s. 1269-1296, 2018

• DOI för New Parameterizations for Neutral and Ion-Induced Sulfuric Acid-Water Particle Formation in Nucleation and Kinetic Regimes

New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Olenius, Tinja; Halonen, Roope; Kurten, Theo; Henschel, Henning et al.

Ingår i Journal of Geophysical Research-Atmospheres, s. 7103-7118, 2017

• DOI för New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Effect of ions on sulfuric acid-water binary particle formation: 2. Experimental data and comparison with QC-normalized classical nucleation theory

Duplissy, J.; Merikanto, J.; Franchin, A.; Tsagkogeorgas, G. et al.

Ingår i Journal of Geophysical Research-Atmospheres, s. 1752-1775, 2016

• DOI för Effect of ions on sulfuric acid-water binary particle formation: 2. Experimental data and comparison with QC-normalized classical nucleation theory

Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

Merikanto, Joonas; Duplissy, Jonathan; Maattanen, Anni; Henschel, Henning et al.

Ingår i Journal of Geophysical Research-Atmospheres, s. 1736-1751, 2016

• DOI för Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

Henschel, Henning; Kurten, Theo; Vehkamaki, Hanna

Ingår i Journal of Physical Chemistry a, s. 1886-1896, 2016

• DOI för Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

Effect of Conformers on Free Energies of Atmospheric Complexes

Partanen, Lauri; Vehkamaki, Hanna; Hansen, Klavs; Elm, Jonas et al.

Ingår i Journal of Physical Chemistry a, s. 8613-8624, 2016

• DOI för Effect of Conformers on Free Energies of Atmospheric Complexes

Comment on ’Enhancement in the production of nucleating clusters due to dimethylamine and large uncertainties in the thermochemistry of amine-enhanced nucleation’ by Nadykto et al., Chem. Phys. Lett. 609 (2014) 42-49

Kupiainen-Maatta, Oona; Henschel, Henning; Kurten, Theo; Loukonen, Ville et al.

Ingår i Chemical Physics Letters, s. 107-110, 2015

• DOI för Comment on ’Enhancement in the production of nucleating clusters due to dimethylamine and large uncertainties in the thermochemistry of amine-enhanced nucleation’ by Nadykto et al., Chem. Phys. Lett. 609 (2014) 42-49

Structures, Hydration, and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters: A Computational Study

Tsona, Narcisse T.; Henschel, Henning; Bork, Nicolai; Loukonen, Ville et al.

Ingår i Journal of Physical Chemistry a, s. 9670-9679, 2015

• DOI för Structures, Hydration, and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters: A Computational Study

Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.

Henschel, Henning; Navarro, Juan C Acosta; Yli-Juuti, Taina; Kupiainen-Maatta, Oona et al.

Ingår i The journal of physical chemistry. A, s. 2599-611, 2014

• DOI för Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.

Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study

Olenius, Tinja; Kurten, Theo; Kupiainen-Maatta, Oona; Henschel, Henning et al.

Ingår i Aerosol Science and Technology, s. 593-603, 2014

• DOI för Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study

Hydration of Pure and Base-Containing Sulfuric Acid Clusters Studied by Computational Chemistry Methods

Henschel, Henning; Ortega, Ismael K.; Kupiainen, Oona; Olenius, Tinja et al.

Ingår i Nucleation and Atmospheric Aerosols, s. 218-221, 2013

• DOI för Hydration of Pure and Base-Containing Sulfuric Acid Clusters Studied by Computational Chemistry Methods

Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

Almeida, Joao; Schobesberger, Siegfried; Kuerten, Andreas; Ortega, Ismael K. et al.

Ingår i Nature, 2013

• DOI för Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

How Warfarin's Structural Diversity Influences Its Phospholipid Bilayer Membrane Permeation

Karlsson, Bjorn C. G.; Olsson, Gustaf D.; Friedman, Ran; Rosengren, Annika M. et al.

Ingår i Journal of Physical Chemistry B, s. 2384-2395, 2013

• DOI för How Warfarin's Structural Diversity Influences Its Phospholipid Bilayer Membrane Permeation

Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine

Henschel, Henning; Kloeckner, Jan-Peter; Nicholls, Ian A.; Prosenc, Marc H.

Ingår i Journal of Molecular Structure, s. 45-51, 2012

• DOI för Computational and structural studies on the complexation of cobalt(II) acetate by water and pyridine

Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction

Henschel, Henning; Kirsch, Nicole; Hedin-Dahlstrom, Jimmy; Whitcombe, Michael J. et al.

Ingår i Journal of Molecular Catalysis B, s. 199-205, 2011

• DOI för Effect of the cross-linker on the general performance and temperature dependent behaviour of a molecularly imprinted polymer catalyst of a Diels-Alder reaction

A density functional study on the factors governing metal catalysis of the direct aldol reaction

Henschel, Henning; Prosenc, Marc H.; Nicholls, Ian A.

Ingår i Journal of Molecular Catalysis A, s. 76-80, 2011

• DOI för A density functional study on the factors governing metal catalysis of the direct aldol reaction

Warfarin: an environment-dependent switchable molecular probe

Nicholls, Ian A.; Karlsson, Björn C. G.; Rosengren, Annika M.; Henschel, Henning

Ingår i Journal of Molecular Recognition, s. 604-608, 2010

• DOI för Warfarin: an environment-dependent switchable molecular probe

Initial Steps of the Sol-Gel Process: Modeling Silicate Condensation in Basic Medium

Henschel, Henning; Schneider, Andreas M.; Prosenc, Marc H.

Ingår i Chemistry of Materials, s. 5105-5111, 2010

• DOI för Initial Steps of the Sol-Gel Process: Modeling Silicate Condensation in Basic Medium

The mechanistic basis for warfarin's structural diversity and implications for its bioavailability

Henschel, Henning; Karlsson, Björn C. G.; Rosengren, Annika M.; Nicholls, Ian A.

Ingår i Journal of Molecular Structure, s. 7-9, 2010

• DOI för The mechanistic basis for warfarin's structural diversity and implications for its bioavailability

Molecularly imprinted polymer catalysis of a Diels-Alder reaction

Kirsch, Nicole; Hedin-Dahlstrom, Jimmy; Henschel, Henning; Whitcombe, Michael J. et al.

Ingår i Journal of Molecular Catalysis B-Enzymatic, s. 110-117, 2009

• DOI för Molecularly imprinted polymer catalysis of a Diels-Alder reaction

(H2O)(10) and (H2O)(12) on a virtual metal surface: The growth of ice

Henschel, Henning; Kraemer, Tobias; Lankau, Timm

Ingår i Langmuir, s. 10942-10950, 2006

• DOI för (H2O)(10) and (H2O)(12) on a virtual metal surface: The growth of ice

Multilayered nanoheterostructures: Theory and experiment

Dorfs, D; Henschel, Henning; Kolny, J; Eychmuller, A

Ingår i Journal of Physical Chemistry B, s. 1578-1583, 2004

• DOI för Multilayered nanoheterostructures: Theory and experiment

Rational design of biomimetic molecularly imprinted materials: theoretical and computational strategies for guiding nanoscale structured polymer development

Nicholls, Ian A.; Andersson, Håkan S.; Golker, Kerstin; Henschel, Henning et al.

Ingår i Analytical and Bioanalytical Chemistry, s. 1771-1786, 2011

• DOI för Rational design of biomimetic molecularly imprinted materials: theoretical and computational strategies for guiding nanoscale structured polymer development

Theoretical and computational strategies for rational molecularly imprinted polymer design

Nicholls, Ian A.; Andersson, Hakan S.; Charlton, Christy; Henschel, Henning et al.

Ingår i Biosensors & Bioelectronics, s. 543-552, 2009

• DOI för Theoretical and computational strategies for rational molecularly imprinted polymer design