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Effect of higher order solvation and temperature on SN2 and E2 reactivity

International journal of mass spectrometry, 2015-02, Vol.378, p.54-58

2015

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Isomeric forms of 1,4-dioxane in a microsolvation environment

Computational and theoretical chemistry, 2024-06, Vol.1236, Article 114587

2024

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The Mechanism of Lithium Zincate‐Mediated I/Zn Exchange Revisited: A Computational Microsolvation Approach in THF

European journal of organic chemistry, 2023-11, Vol.26 (43)

2023

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Systematic microsolvation approach with a cluster‐continuum scheme and conformational sampling

Journal of computational chemistry, 2020-05, Vol.41 (12), p.1144-1155

2020

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Influence of microsolvation on vibrational circular dichroism spectra in dimethyl sulfoxide solvent: A Bottom-Up approach using Quantum cluster growth

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-12, Vol.303, p.123231, Article 123231

2023

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Towards microsolvation of fluorocarbons by CO2: Two isomers of fluoroethylene-(CO2)2 observed using chirped-pulse Fourier-transform microwave spectroscopy

Chemical physics letters, 2018-08, Vol.706, p.538-542

2018

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Why is cis/trans stereoinversion with Li+(THF)4 migration across the phenyl ring of α-lithiostyrene accelerated by two ortho-methyl groups?

Tetrahedron, 2018-04, Vol.74 (14), p.1621-1631

2018

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Unusual (3 THF)-microsolvated dimers and donor-free aggregates of two lithium enolates

Tetrahedron, 2021-12, Vol.102, p.132500, Article 132500

2021

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Theoretical Investigation of Glycine Micro-Solvated. Energy and NMR Spin Spin Coupling Constants Calculations

Sci, 2021-12, Vol.3 (4), p.41

2021

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Acid Dissociation in (HX)n(H2O)n Clusters (X=F, Cl, Br, I; n=2, 3)

Chemphyschem, 2023-01, Vol.24 (2), p.e202200582-n/a

2023

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Cover Feature: Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol (Chem. Eur. J. 25/2018)

Chemistry : a European journal, 2018-05, Vol.24 (25), p.6481-6481

2018

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A Trade-off between Solvation and Collision Activation in Steering Competing E2 and SN2 Dynamics

Precision Chemistry, 2024-01, Vol.2 (1), p.40-48

2024

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UV–Vis, Raman spectroscopic and density functional theoretical studies on microsolvation 1, 2, 4-triazole-3-thione clusters

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-09, Vol.258, p.119762, Article 119762

2021

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Microhydrated 3‐Methyl‐3‐oxetanemethanol: Evolution of the Hydrogen‐Bonding Network from Chains to Cubes

Angewandte Chemie (International ed.), 2022-12, Vol.61 (49), p.e202210819-n/a

International ed. in English, 2022

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The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy

Angewandte Chemie (International ed.), 2019-09, Vol.58 (39), p.13935-13941

International ed. in English, 2019

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Effect of microsolvation on the OH−(H2O)n+CH3I rate constant. comparison of experiment and calculations for OH−(H2O)2+CH3I

International journal of mass spectrometry, 2017-07, Vol.418, p.122-129

2017

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New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: Water versus methanol

Computational and theoretical chemistry, 2013-10, Vol.1021, p.124-134

2013

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Quantum Chemical Microsolvation by Automated Water Placement

Molecules (Basel, Switzerland), 2021-03, Vol.26 (6), p.1793

2021

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Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn‐xTB methods

Journal of computational chemistry, 2022-10, Vol.43 (27), p.1856-1863

2022

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Helium Tagging of Protonated Methane in Messenger Spectroscopy: Does It Interfere with the Fluxionality of CH5+?

Angewandte Chemie (International ed.), 2018-11, Vol.57 (45), p.14792-14795

International ed. in English, 2018

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Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol

Chemical physics impact, 2023-12, Vol.7, p.100243, Article 100243

2023

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Chemical Transformations Can Occur during DMS Separations: Lessons Learned from Beer’s Bittering Compounds

Journal of the American Society for Mass Spectrometry, 2023-07, Vol.34 (7), p.1315-1329

2023

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First-Principles Modeling of Preferential Solvation in Mixed-Modifier Differential Mobility Spectrometry

Journal of the American Society for Mass Spectrometry, 2023-07, Vol.34 (7), p.1417-1427

2023

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Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-02, Vol.267 (Pt 2), p.120531, Article 120531

2022

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The Charge-State and Structural Stability of Peptides Conferred by Microsolvating Environments in Differential Mobility Spectrometry

Journal of the American Society for Mass Spectrometry, 2021-04, Vol.32 (4), p.956-968

2021

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Effect of higher order solvation and temperature on SN2 and E2 reactivity

Isomeric forms of 1,4-dioxane in a microsolvation environment

The Mechanism of Lithium Zincate‐Mediated I/Zn Exchange Revisited: A Computational Microsolvation Approach in THF

Systematic microsolvation approach with a cluster‐continuum scheme and conformational sampling

Influence of microsolvation on vibrational circular dichroism spectra in dimethyl sulfoxide solvent: A Bottom-Up approach using Quantum cluster growth

Towards microsolvation of fluorocarbons by CO2: Two isomers of fluoroethylene-(CO2)2 observed using chirped-pulse Fourier-transform microwave spectroscopy

Why is cis/trans stereoinversion with Li+(THF)4 migration across the phenyl ring of α-lithiostyrene accelerated by two ortho-methyl groups?

Unusual (3 THF)-microsolvated dimers and donor-free aggregates of two lithium enolates

Theoretical Investigation of Glycine Micro-Solvated. Energy and NMR Spin Spin Coupling Constants Calculations

Acid Dissociation in (HX)n(H2O)n Clusters (X=F, Cl, Br, I; n=2, 3)

Cover Feature: Sulfur Hydrogen Bonding in Isolated Monohydrates: Furfuryl Mercaptan versus Furfuryl Alcohol (Chem. Eur. J. 25/2018)

A Trade-off between Solvation and Collision Activation in Steering Competing E2 and SN2 Dynamics

UV–Vis, Raman spectroscopic and density functional theoretical studies on microsolvation 1, 2, 4-triazole-3-thione clusters

Microhydrated 3‐Methyl‐3‐oxetanemethanol: Evolution of the Hydrogen‐Bonding Network from Chains to Cubes

The Unexplored World of Cycloalkene–Water Complexes: Primary and Assisting Interactions Unraveled by Experimental and Computational Spectroscopy

Effect of microsolvation on the OH−(H2O)n+CH3I rate constant. comparison of experiment and calculations for OH−(H2O)2+CH3I

New insights on lithium-cation microsolvation by solvents forming hydrogen-bonds: Water versus methanol

Quantum Chemical Microsolvation by Automated Water Placement

Conformational energies of microsolvated Na+ clusters with protic and aprotic solvents from GFNn‐xTB methods

Helium Tagging of Protonated Methane in Messenger Spectroscopy: Does It Interfere with the Fluxionality of CH5+?

Investigating the intermolecular interactions in the explicitly solvated complexes of lomustine with water and ethanol

Chemical Transformations Can Occur during DMS Separations: Lessons Learned from Beer’s Bittering Compounds

First-Principles Modeling of Preferential Solvation in Mixed-Modifier Differential Mobility Spectrometry

Chirality-Puckering correlation and intermolecular interactions in Sphingosines: Rotational spectroscopy of jaspine B3 and its monohydrate

The Charge-State and Structural Stability of Peptides Conferred by Microsolvating Environments in Differential Mobility Spectrometry

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