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Analyzing Discrepancies in Chemical-Shift Predictions of Solid Pyridinium Fumarates

Molecules (Basel, Switzerland), 2021-06, Vol.26 (13), p.3857

Dračínský, Martin

2021

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Computational Analysis of Solvent Effects in NMR Spectroscopy

Journal of chemical theory and computation, 2010-01, Vol.6 (1), p.288-299

2010

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A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters

CrystEngComm, 2013-01, Vol.15 (43), p.8705-8712

2013

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Detection of Sugars via Chirality Induced in Europium(III) Compounds

Analytical chemistry (Washington), 2016-09, Vol.88 (17), p.8878-8885

2016

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Surface Inclusion of Unidirectional Molecular Motors in Hexagonal Tris(o‑phenylene)cyclotriphosphazene

Journal of the American Chemical Society, 2017-08, Vol.139 (30), p.10486-10498

2017

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Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3′,3′-c-Di(2′F,2′dAMP)

Journal of medicinal chemistry, 2021-06, Vol.64 (11), p.7596-7616

2021

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The stability of covalent dative bond significantly increases with increasing solvent polarity

Nature communications, 2022-04, Vol.13 (1), p.2107-2107, Article 2107

2022

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Novel simplified synthesis of diglycolamides extractants

Journal of radioanalytical and nuclear chemistry, 2024, Vol.333 (1), p.459-466

2024

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Enantioselective Desymmetrization of 3‑Substituted Oxetanes: An Efficient Access to Chiral 3,4-Dihydro‑2H‑1,4-benzoxazines

Organic letters, 2021-12, Vol.23 (24), p.9376-9381

2021

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Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra

The journal of physical chemistry. B, 2011-04, Vol.115 (14), p.4128-4137

2011

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Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations

Physical chemistry chemical physics : PCCP, 2017, Vol.19 (4), p.2900-2907

2017

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Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

Journal of chemical theory and computation, 2013-08, Vol.9 (8), p.3806-3815

2013

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Importance of Nuclear Quantum Effects for Molecular Cocrystals with Short Hydrogen Bonds

Journal of the American Chemical Society, 2022-04, Vol.144 (16), p.7111-7116

2022

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Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Chemistry of materials, 2023-12, Vol.35 (23), p.10009-10017

2023

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Design and Synthesis of Novel HIV‑1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties

Journal of medicinal chemistry, 2023-02, Vol.66 (3), p.1761-1777

2023

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Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris(o‑phenylene)cyclotriphosphazene

Journal of organic chemistry, 2019-07, Vol.84 (13), p.8449-8467

2019

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Paramagnetic encoding of molecules

Nature communications, 2022-06, Vol.13 (1), p.3179-3179, Article 3179

2022

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Synthesis of multiply fluorinated N -acetyl-D-glucosamine and D-galactosamine analogs via the corresponding deoxyfluorinated glucosazide and galactosazide phenyl thioglycosides

Beilstein journal of organic chemistry, 2021, Vol.17 (1), p.1086-1095

2021

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Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin−Spin Coupling

The journal of physical chemistry. B, 2009-11, Vol.113 (44), p.14698-14707

2009

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Decarboxylative Organocatalytic Allylic Amination of Morita–Baylis–Hillman Carbamates

Chemistry : a European journal, 2018-09, Vol.24 (51), p.13441-13445

2018

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Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids

Journal of organic chemistry, 2019-03, Vol.84 (5), p.2448-2461

2019

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Cosolvent Exclusion Drives Protein Stability in Trimethylamine N‑Oxide and Betaine Solutions

The journal of physical chemistry letters, 2022-09, Vol.13 (34), p.7980-7986

2022

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Photoswitching Behavior of 5‑Phenylazopyrimidines: In Situ Irradiation NMR and Optical Spectroscopy Combined with Theoretical Methods

Journal of organic chemistry, 2018-06, Vol.83 (11), p.5986-5998

2018

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Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy

ACS applied materials & interfaces, 2019-08, Vol.11 (31), p.28278-28288

2019

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Regular Two-Dimensional Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV–vis and NMR Spectroscopy

Journal of the American Chemical Society, 2020-05, Vol.142 (20), p.9337-9351

2020

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Analyzing Discrepancies in Chemical-Shift Predictions of Solid Pyridinium Fumarates

Computational Analysis of Solvent Effects in NMR Spectroscopy

A molecular dynamics study of the effects of fast molecular motions on solid-state NMR parameters

Detection of Sugars via Chirality Induced in Europium(III) Compounds

Surface Inclusion of Unidirectional Molecular Motors in Hexagonal Tris(o‑phenylene)cyclotriphosphazene

Synthesis and Biological Evaluation of Phosphoester and Phosphorothioate Prodrugs of STING Agonist 3′,3′-c-Di(2′F,2′dAMP)

The stability of covalent dative bond significantly increases with increasing solvent polarity

Novel simplified synthesis of diglycolamides extractants

Enantioselective Desymmetrization of 3‑Substituted Oxetanes: An Efficient Access to Chiral 3,4-Dihydro‑2H‑1,4-benzoxazines

Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra

Internal dynamics in helical molecules studied by X-ray diffraction, NMR spectroscopy and DFT calculations

Conformational Sampling by Ab Initio Molecular Dynamics Simulations Improves NMR Chemical Shift Predictions

Importance of Nuclear Quantum Effects for Molecular Cocrystals with Short Hydrogen Bonds

Influence of Internal Molecular Motions in the Photothermal Conversion Effect of Charge-Transfer Cocrystals

Design and Synthesis of Novel HIV‑1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties

Bulk Inclusions of Double Pyridazine Molecular Rotors in Hexagonal Tris(o‑phenylene)cyclotriphosphazene

Paramagnetic encoding of molecules

Synthesis of multiply fluorinated N -acetyl-D-glucosamine and D-galactosamine analogs via the corresponding deoxyfluorinated glucosazide and galactosazide phenyl thioglycosides

Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin−Spin Coupling

Decarboxylative Organocatalytic Allylic Amination of Morita–Baylis–Hillman Carbamates

Bridge-Chlorinated Bicyclo[1.1.1]pentane-1,3-dicarboxylic Acids

Cosolvent Exclusion Drives Protein Stability in Trimethylamine N‑Oxide and Betaine Solutions

Photoswitching Behavior of 5‑Phenylazopyrimidines: In Situ Irradiation NMR and Optical Spectroscopy Combined with Theoretical Methods

Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy

Regular Two-Dimensional Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV–vis and NMR Spectroscopy

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