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Different Dynamic Behavior of Methyl Groups in Crystalline Carbimazole as Revealed by a Multitechnique Experimental and Theoretical Approach

Journal of physical chemistry. C, 2023-03, Vol.127 (10), p.5186-5196

2023

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Molecular and Vibrational Dynamics in the Cholesterol-Lowering Agent Lovastatin: Solid-State NMR, Inelastic Neutron Scattering, and Periodic DFT Study

The journal of physical chemistry. B, 2017-04, Vol.121 (13), p.2776-2787

2017

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Molecular dynamics simulations study of the structure and dynamics of nimodipine confined in an ordered mesoporous silica matrix

Chemical physics, 2020-08, Vol.536, p.110819, Article 110819

2020

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Environmental Effects on the Molecular Mobility of Ranitidine Hydrochloride: Crystalline State versus Drug Loaded into the Silica Matrix

Journal of physical chemistry. C, 2019-08, Vol.123 (30), p.18364-18375

2019

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QENS and NMR Study of Water Dynamics in SBA-15 with a Low Water Content

Journal of physical chemistry. C, 2015-07, Vol.119 (29), p.16578-16586

2015

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Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy- trans -stilbene - a chemopreventive agent

Physical chemistry chemical physics : PCCP, 2023-07, Vol.25 (27), p.18481-18494

2023

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Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine

Crystal growth & design, 2015-06, Vol.15 (6), p.2817-2830

2015

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Elucidating the Structure of Ranitidine Hydrochloride Form II: Insights from Solid-State Spectroscopy and Ab Initio Simulations

Crystal growth & design, 2018-08, Vol.18 (8), p.4671-4681

2018

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Experimental and Solid-State Computational Study of Structural and Dynamic Properties in the Equilibrium Form of Temazepam

The journal of physical chemistry. B, 2014-06, Vol.118 (24), p.6670-6679

2014

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Diversity of methyl group dynamics in felodipine: a DFT supported NMR and QENS study

CrystEngComm, 2018, Vol.20 (45), p.7371-7385

2018

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Molecular dynamics and the dissolution rate of nifedipine encapsulated in mesoporous silica

Microporous and mesoporous materials, 2017-09, Vol.250, p.186-194

2017

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Dynamics of an amorphous pharmacologically active compound – diazepam: a QENS study combined with molecular dynamics simulations

RSC advances, 2017, Vol.7 (56), p.35504-35515

2017

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In search of the mutual relationship between the structure, solid-state spectroscopy and molecular dynamics in selected calcium channel blockers

European journal of pharmaceutical sciences, 2016-03, Vol.85, p.68-83

2016

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The Polymorphic Phase Transformations in the Chlorpropamide under Pressure

Journal of pharmaceutical sciences, 2015-01, Vol.104 (1), p.81-86

2015

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New ferroelectric: Bis-thiourea pyridinium bromide inclusion compound

Journal of materials research, 2012-11, Vol.27 (22), p.2844-2850

2012

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On the molecular dynamics in long-acting calcium channel blocker lacidipine: solid-state NMR, neutron scattering and periodic DFT study

RSC advances, 2016-01, Vol.6 (71), p.66617-66629

2016

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The relationship between reorientational molecular motions and phase transitions in [Mg(H2O)6](BF4)2, studied with the use of (1)H and (19)F NMR and FT-MIR

The Journal of chemical physics, 2015-02, Vol.142 (6), p.064507-064507

2015

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Calorimetric, FTIR and 1H NMR measurements in combination with DFT calculations for monitoring solid‐state changes of dynamics of sibutramine hydrochloride

Journal of pharmaceutical sciences, 2012-10, Vol.101 (10), p.3799-3810

2012

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The Pressure-Induced Polymorphic Transformations in Fluconazole

Journal of pharmaceutical sciences, 2015-12, Vol.104 (12), p.4164-4169

2015

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The relationship between reorientational molecular motions and phase transitions in [Mg(H2O)6](BF4)2, studied with the use of 1H and 19F NMR and FT-MIR

The Journal of chemical physics, 2015-02, Vol.142 (6)

2015

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Mesoporous drug carrier systems for enhanced delivery rate of poorly water-soluble drug: nimodipine

Journal of porous materials, 2015-06, Vol.22 (3), p.817-829

2015

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Second Moment Simulations for Different Models of Rotations and Oscillations in Polycrystalline Thiourea Pyridinium Nitrate Inclusion Compound and its Two Perdeuterated Analogues

Zeitschrift für Naturforschung. A, A journal of physical sciences, 2005-03, Vol.60 (3), p.177-182

2005

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Vibrational Response of Felodipine in the THz Domain: Optical and Neutron Spectroscopy Versus Plane-Wave DFT Modeling

Journal of infrared, millimeter and terahertz waves, 2020-11, Vol.41 (11), p.1301-1336

2020

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The relationship between reorientational molecular motions and phase transitions in [Mg(H{sub 2}O){sub 6}](BF{sub 4}){sub 2}, studied with the use of {sup 1}H and {sup 19}F NMR and FT-MIR

The Journal of chemical physics, 2015-02, Vol.142 (6)

2015

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Ferroelectricity of Inclusion Compounds of Thiourea with Pyridinium Iodide and Nitrate

Journal of physical chemistry. C, 2009-04, Vol.113 (15), p.6282-6289

2009

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Different Dynamic Behavior of Methyl Groups in Crystalline Carbimazole as Revealed by a Multitechnique Experimental and Theoretical Approach

Molecular and Vibrational Dynamics in the Cholesterol-Lowering Agent Lovastatin: Solid-State NMR, Inelastic Neutron Scattering, and Periodic DFT Study

Molecular dynamics simulations study of the structure and dynamics of nimodipine confined in an ordered mesoporous silica matrix

Environmental Effects on the Molecular Mobility of Ranitidine Hydrochloride: Crystalline State versus Drug Loaded into the Silica Matrix

QENS and NMR Study of Water Dynamics in SBA-15 with a Low Water Content

Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy- trans -stilbene - a chemopreventive agent

Computationally Assisted (Solid-State Density Functional Theory) Structural (X-ray) and Vibrational Spectroscopy (FT-IR, FT-RS, TDs-THz) Characterization of the Cardiovascular Drug Lacidipine

Elucidating the Structure of Ranitidine Hydrochloride Form II: Insights from Solid-State Spectroscopy and Ab Initio Simulations

Experimental and Solid-State Computational Study of Structural and Dynamic Properties in the Equilibrium Form of Temazepam

Diversity of methyl group dynamics in felodipine: a DFT supported NMR and QENS study

Molecular dynamics and the dissolution rate of nifedipine encapsulated in mesoporous silica

Dynamics of an amorphous pharmacologically active compound – diazepam: a QENS study combined with molecular dynamics simulations

In search of the mutual relationship between the structure, solid-state spectroscopy and molecular dynamics in selected calcium channel blockers

The Polymorphic Phase Transformations in the Chlorpropamide under Pressure

New ferroelectric: Bis-thiourea pyridinium bromide inclusion compound

On the molecular dynamics in long-acting calcium channel blocker lacidipine: solid-state NMR, neutron scattering and periodic DFT study

The relationship between reorientational molecular motions and phase transitions in [Mg(H2O)6](BF4)2, studied with the use of (1)H and (19)F NMR and FT-MIR

Calorimetric, FTIR and 1H NMR measurements in combination with DFT calculations for monitoring solid‐state changes of dynamics of sibutramine hydrochloride

The Pressure-Induced Polymorphic Transformations in Fluconazole

The relationship between reorientational molecular motions and phase transitions in [Mg(H2O)6](BF4)2, studied with the use of 1H and 19F NMR and FT-MIR

Mesoporous drug carrier systems for enhanced delivery rate of poorly water-soluble drug: nimodipine

Second Moment Simulations for Different Models of Rotations and Oscillations in Polycrystalline Thiourea Pyridinium Nitrate Inclusion Compound and its Two Perdeuterated Analogues

Vibrational Response of Felodipine in the THz Domain: Optical and Neutron Spectroscopy Versus Plane-Wave DFT Modeling

The relationship between reorientational molecular motions and phase transitions in [Mg(H{sub 2}O){sub 6}](BF{sub 4}){sub 2}, studied with the use of {sup 1}H and {sup 19}F NMR and FT-MIR

Ferroelectricity of Inclusion Compounds of Thiourea with Pyridinium Iodide and Nitrate

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