Bogdan Marekha

Maître de conférences en chimie

29%

Libre accès

Documents

Affiliations actuelles

6818

Identifiants chercheurs

bogdan-marekha
0000-0003-3142-8029
Google Scholar : https://scholar.google.fr/citations?user=e9ZR62sAAAAJ

Contact

Présentation

français
anglais

Domaines de recherche

Chimie théorique et/ou physique Chimie-Physique [physics.chem-ph] Matière Molle [cond-mat.soft] Optique / photonique

Compétences

atomistic simulations quantum chemistry calculations NMR spectroscopy vibrational spectroscopy femtosecond spectroscopy

Publications

	Structure et dynamique microscopiques dans les mélanges de liquides ioniques à base d’imidazolium et de solvants polaires aprotiques : RMN, spectroscopie Raman et modélisation moléculaire Bogdan Marekha Chimie théorique et/ou physique. Université Lille1 - Sciences et Technologies; Harkívsʹkij nacíonalʹnij uníversitet ímení V. N. Karazína, 2014. Français. ⟨NNT : ⟩ Thèse tel-01581868v1

	Detection of a Jahn-Teller mode as an ultrafast fingerprint of spin-transition-induced charge transfer in CoFe Prussian Blue Analogue Marius Hervé , Bogdan Marekha , Sandra Mazérat , Talal Mallah , Marco Cammarata Materials Advances, 2024, ⟨10.1039/d3ma01072d⟩ Article dans une revue hal-04532697v1
	Dynamic catcher for stabilization of high-viscosity extrusion jets R. Bruce Doak , Robert L Shoeman , Alexander Gorel , Thomas R M Barends , Bogdan Marekha Journal of Applied Crystallography, 2023, 56 (3), pp.903-907. ⟨10.1107/s1600576723003795⟩ Article dans une revue hal-04167511v1
	Towards panchromatic Fe( ii ) NHC sensitizers via HOMO inversion Anil Reddy Marri , Bogdan Marekha , Thomas Penfold , Stefan Haacke , Philippe Gros Inorganic Chemistry Frontiers, 2023, 10, pp.118-126. ⟨10.1039/D2QI01903E⟩ Article dans une revue hal-03856124v1
	A single methyl group drastically changes urea’s hydration dynamics Bogdan Marekha , Johannes Hunger Journal of Chemical Physics, 2022, 156 (16), pp.164504. ⟨10.1063/5.0085461⟩ Article dans une revue hal-04045568v1
	Effects of self-hydrogen bonding among formamide molecules on the UCST-type liquid–liquid phase separation of binary solutions with imidazolium-based ionic liquid, [C n mim][TFSI], studied by NMR, IR, MD simulations, and SANS Masahiro Kawano , Atsuya Tashiro , Yuki Imamura , Moeno Yamada , Koichiro Sadakane Physical Chemistry Chemical Physics, 2022, 24 (22), pp.13698-13712. ⟨10.1039/D2CP01006B⟩ Article dans une revue hal-04045553v1
	Assessment of the UCST-type liquid–liquid phase separation mechanism of imidazolium-based ionic liquid, [C 8 mim][TFSI], and 1,4-dioxane by SANS, NMR, IR, and MD simulations Masahiro Kawano , Koichiro Sadakane , Hiroki Iwase , Masaru Matsugami , Bogdan Marekha Physical Chemistry Chemical Physics, 2021, 23 (42), pp.24449-24463. ⟨10.1039/D1CP01940F⟩ Article dans une revue hal-04045582v1
	Composition-Dependent Hydrogen-Bonding Motifs and Dynamics in Brønsted Acid–Base Mixtures Christian Malm , Leon A Prädel , Bogdan A Marekha , Maksim Grechko , Johannes Hunger Journal of Physical Chemistry B, 2020, 124 (33), pp.7229-7238. ⟨10.1021/acs.jpcb.0c04714⟩ Article dans une revue hal-04045598v1
	Towards Iron(II) Complexes with Octahedral Geometry Mohamed Darari , Antonio Francés-Monerris , Bogdan Marekha , Abdelatif Doudouh , Emmanuel Wenger Molecules, 2020, 25 (24), pp.5991. ⟨10.3390/molecules25245991⟩ Article dans une revue hal-03081500v1
	Mixing states of imidazolium-based ionic liquid, [C ₄ mim][TFSI], with cycloethers studied by SANS, IR, and NMR experiments and MD simulations Masahiro Kawano , Koichiro Sadakane , Hiroki Iwase , Masaru Matsugami , Bogdan Marekha Physical Chemistry Chemical Physics, 2020, 22, pp.5332-5346. ⟨10.1039/C9CP05258E⟩ Article dans une revue hal-04351527v1
	Specific Ion Effects on an Oligopeptide: Bidentate Binding Matters for the Guanidinium Cation Vasileios Balos , Bogdan Marekha , Christian Malm , Manfred Wagner , Yuki Nagata Angewandte Chemie International Edition, 2019, 58 (1), pp.332-337. ⟨10.1002/anie.201811029⟩ Article dans une revue hal-04045612v1
	Hydrogen‐Bond Structure and Dynamics of TADDOL Asymmetric Organocatalysts Correlate with Catalytic Activity Seoncheol Cha , Bogdan Marekha , Manfred Wagner , Johannes Hunger Chemistry - A European Journal, 2019, 25 (42), pp.9984-9990. ⟨10.1002/chem.201901594⟩ Article dans une revue hal-04045603v1
	Hydrophobic pattern of alkylated ureas markedly affects water rotation and hydrogen bond dynamics in aqueous solution Bogdan Marekha , Johannes Hunger Physical Chemistry Chemical Physics, 2019, 21 (37), pp.20672-20677. ⟨10.1039/C9CP04108G⟩ Article dans une revue hal-04045604v1
	Binding mode of Pyridoclax to Myeloid cell leukemia-1 (Mcl-1) revealed by Nuclear Magnetic Resonance Spectroscopy, Docking and Molecular Dynamics Approaches Asma Bourafai Aziez , Muriel Sebban , M. Benabderrahmane , B. Marekha , C. Denis Journal of Biomolecular Structure and Dynamics, 2019, (in press). ⟨10.1080/07391102.2019.1680434⟩ Article dans une revue hal-02330946v1
	Hydrogen bonds of the imidazolium rings of ionic liquids with DMSO studied by NMR, soft X-ray spectroscopy, and SANS Toshiyuki Takamuku , Takumi Tokuda , Takahiro Uchida , Kazuya Sonoda , Bogdan Marekha Physical Chemistry Chemical Physics, 2018, 20, pp.12858-12869. ⟨10.1039/C8CP00963E⟩ Article dans une revue hal-04351398v1
	The local structure in the BmimPF ₆ /acetonitrile mixture: the charge distribution effect Volodymyr Koverga , Oleg Kalugin , François-Alexandre Miannay , Yevheniia Smortsova , Kateryna Goloviznina Physical Chemistry Chemical Physics, 2018, 20 (34), p.21890-21902. ⟨10.1039/C8CP03546F⟩ Article dans une revue hal-04351351v1
	Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode Siham Hedir , Marcella de Giorgi , Jade Fogha , Martina de Pascale , Louis-Bastien Weiswald European Journal of Medicinal Chemistry, 2018, 159, pp.357-380. ⟨10.1016/j.ejmech.2018.10.003⟩ Article dans une revue inserm-01980723v1
	Competition between cation–solvent and cation–anion interactions in imidazolium ionic liquids with polar aprotic solvents Bogdan A. Marekha , Oleg N. Kalugin , Marc Bria , Toshiyuki Takamuku , Slobodan Gadžurić ChemPhysChem, 2017, 18 (7), pp.718 - 721. ⟨10.1002/cphc.201601445⟩ Article dans une revue hal-01509573v1
	ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C_nmimTFSA (n = 2–12) with DMSO Bogdan A. Marekha , Kazuya Sonoda , Takahiro Uchida , Takumi Tokuda , Abdenacer Idrissi Journal of Molecular Liquids, 2017, 232, pp.431 - 439. ⟨10.1016/j.molliq.2017.02.068⟩ Article dans une revue hal-01508391v1
	ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C n mimTFSA ( n = 2–12) with DMSO Bogdan Marekha , Kazuya Sonoda , Takahiro Uchida , Takumi Tokuda , Abdenacer Idrissi Journal of Molecular Liquids, 2017, 232, pp.431 - 439. ⟨10.1016/j.molliq.2017.02.068⟩ Article dans une revue hal-01737055v1
	Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode Jade Fogha , Bogdan Marekha , Marcella de Giorgi , Anne-Sophie Voisin-Chiret , Sylvain Rault Journal of Chemical Information and Modeling, 2017, 57 (11), pp.2885-2895. ⟨10.1021/acs.jcim.7b00396⟩ Article dans une revue hal-02043710v1
	A new potential model for acetonitrile: Insight into the local structure organization Volodymyr A. Koverga , Oleksandr M. Korsun , Oleg N. Kalugin , Bogdan A. Marekha , Abdenacer Idrissi Journal of Molecular Liquids, 2017, 233, pp.251 - 261. ⟨10.1016/j.molliq.2017.03.025⟩ Article dans une revue hal-01508387v1
	Solvation dynamics and rotation of coumarin 153 in a new ionic liquid/molecular solvent mixture model: [BMIM][TFSI]/propylene carbonate Y. Smortsova , F.A. Miannay , H. Oher , B. Marekha , J. Dubois Journal of Molecular Liquids, 2017, 226, pp.48 - 55. ⟨10.1016/j.molliq.2016.10.008⟩ Article dans une revue hal-01459096v1
	Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations Abdenacer Idrissi , Bogdan A. Marekha , Mohammed Barj , François Alexandre Miannay , Toshiyuki Takamuku Journal of Chemical Physics, 2017, 146, pp.234507. ⟨10.1063/1.4985630⟩ Article dans une revue hal-01579788v1
	Local lateral environment of the molecules at the surface of DMSO-water mixtures B. Fabian , A. Idrissi , B. Marekha , P. Jedlovszky Journal of Physics: Condensed Matter, 2016, 28, pp.404002-1 - 404002-10. ⟨10.1088/0953-8984/28/40/404002⟩ Article dans une revue hal-01383835v1
	Local structure in terms of nearest-neighbor approach in 1-Butyl-3-methylimidazolium-Based ionic liquids: MD simulations B. Marekha , V.A. Koverga , E. Chesneau , O. Kalugin , T. Takamuku Journal of Physical Chemistry B, 2016, 120, pp.5029 - 5041. ⟨10.1021/acs.jpcb.6b04066⟩ Article dans une revue hal-01348709v1
	Luteolin organic solvent interactions. A molecular dynamics simulation analysis K. Smail , N. Tchouar , M. Barj , B. Marekha , A. Idrissi Journal of Molecular Liquids, 2015, 212, pp.503 - 508. ⟨10.1016/j.molliq.2015.09.043⟩ Article dans une revue hal-01244300v1
	Intermolecular interactions in mixtures of 1-n-butyl-3-methylimidazolium acetate and water: Insights from IR, Raman, NMR spectroscopy and quantum chemistry calculations B. Marekha , M. Bria , M. Moreau , I. de Waele , F.A. Miannay Journal of Molecular Liquids, 2015, 210, pp.227 - 237. ⟨10.1016/j.molliq.2015.05.015⟩ Article dans une revue hal-01195975v1
	The local environment of the molecules in water-DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis A. Idrissi , B. Marekha , M. Kiselev , P. Jedlovszky Physical Chemistry Chemical Physics, 2015, 17 (5), pp.3470 - 3481. ⟨10.1039/c4cp04839c⟩ Article dans une revue hal-01135852v1
	Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis B. Marekha , O.N. Kalugin , A. Idrissi Physical Chemistry Chemical Physics, 2015, 17, pp.16846 - 16857. ⟨10.1039/C5CP02197A⟩ Article dans une revue hal-01174698v1
	Intermolecular interactions, ion solvation, and association in mixtures of 1-n-butyl-3-methylimidazolium hexafluorophosphate and γ-butyrolactone: Insights from Raman spectroscopy B. Marekha , V.A. Koverga , M. Moreau , M. Kiselev , T. Takamuku Journal of Raman Spectroscopy, 2015, 46, pp.339 - 352. ⟨10.1002/jrs.4640⟩ Article dans une revue hal-01135915v1
	Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative ¹H and ¹³C NMR chemical shifts B. Marekha , O.N. Kalugin , M. Bria , A. Idrissi Physical Chemistry Chemical Physics, 2015, 17, pp.23183 - 23194. ⟨10.1039/c5cp02748a⟩ Article dans une revue hal-01195959v1
	Thermodynamics of mixing water with dimethyl sulfoxide, as seen from computer simulations A. Idrissi , B. Marekha , M. Barj , P. Jedlovszky Journal of Physical Chemistry B, 2014, 118, pp.8724-8733. ⟨10.1021/jp503352f⟩ Article dans une revue hal-01063507v1
	Inhomogeneous distribution in methanol/acetone mixture: vibrational and NMR spectroscopy analysis A. Idrissi , K. Polok , B. Marekha , I. de Waele , M. Bria Journal of Physical Chemistry B, 2014, 118, pp.1416-1425. ⟨10.1021/jp412023g⟩ Article dans une revue hal-01064908v1
	Translational diffusion in mixtures of imidazolium ILs with polar aprotic molecular solvents B. Marekha , O.N. Kalugin , M. Bria , R. Buchner , A. Idrissi Journal of Physical Chemistry B, 2014, 118, pp.5509 - 5517. ⟨10.1021/jp501561s⟩ Article dans une revue hal-01112376v1
	Microscopic interactions of the imidazolium-based ionic liquid with molecular liquids depending on their electron-donicity T. Takamuku , H. Hoke , A. Idrissi , B. Marekha , M. Moreau Physical Chemistry Chemical Physics, 2014, 16, pp.23627 - 23638. ⟨10.1039/C4CP03565H⟩ Article dans une revue hal-01112393v1
	Free energy of mixing of acetone and methanol: A computer simulation investigation A. Idrissi , K. Polok , M. Barj , B. Marekha , M. Kiselev Journal of Physical Chemistry B, 2013, 117, pp.16157-16164. ⟨10.1021/jp405090j⟩ Article dans une revue hal-00940891v1
	Heterogeneous Wide Range pH-sensing Materials Allowing Ratiometric Fluorescence Detection Based on Structurally Rigid Analogs of 2,6-distyrylpyridine Oleksiy Grygorovych , Sofia Moskalenko , Bogdan Marekha , Andrey Doroshenko Journal of Fluorescence, 2010, 20 (1), pp.115-124. ⟨10.1007/s10895-009-0529-0⟩ Article dans une revue hal-04045620v1

	Probing Structural patterns of ion association and solvation dynamics of imidazolium ionic liquids with acetonitrile, propylene carbonate and gamma-Butyrolactone: A molecular dynamics analysis V. Koverga , Y. Smortsova , F.A. Miannay , B. Marekha , O. Kalugin EMLG - JMLG annual meeting 2017, Sep 2017, Vienne, Austria Communication dans un congrès hal-01592062v1
	Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations A. Idrissi , B. Marekha , M. Barj , F.A. Miannay , P. Jedlovszky 7th Visgrad Symposium on Structural Systems Biology, Jun 2017, Nové Hrady, Czech Republic Communication dans un congrès hal-01592060v1
	Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents Oleg Kalugin , Anastasiia Riabchunova , Iuliia Voroshylova , Vitaly Chaban , Bogdan Marekha Modern Problems of Molecular Physics. Springer Proceedings in Physics, May 2016, Kyiv, Ukraine. pp.67-109, ⟨10.1007/978-3-319-61109-9_5⟩ Communication dans un congrès hal-04045618v1
	Microscopic structure and dynamics in mixtures of imidazolium-based ionic liquids with polar aprotic solvents: Vibration spectroscopy , NMR and molecular modeling B. Marekha , O.N. Kalugin , A. Idrissi Molecular Liquids Meet Ionic Liquids from Fundamentals to Applications , Sep 2015, Rostock, Germany Communication dans un congrès hal-01267291v1
	Translational and rotational dynamics of imidazolium bazed ionic liquids in acetonitrile O.N. Kalugin , V.A. Koverga , B. Marekha , A. Idrissi , S. Adya Molecular Liquids Meet Ionic Liquids from Fundamentals to Applications, Sep 2015, Rostock, Germany Communication dans un congrès hal-01267301v1
	Luteolin-organic solvent interactions: A molecular dynamics simulation analysis K. Smail , N. Tchouar , B. Marekha , A. Seitsonen , M. Barj 5th Visegrad Symposium Structural Systems Biology, Jun 2015, Szeged, Hungary Communication dans un congrès hal-01187154v1
	Mixing states of imidazolium-based ionic liquid in dimethyl sulfoxide, methanol, and acetonitrile studied with NMR, Raman, and ATR-IR techniques T. Takamuku , H. Koke , A. Idrissi , B. Marekha , M. Moreau EMLG - JMLG annual meeting 2014, Sep 2014, Rome, Italy Communication dans un congrès hal-01137333v1
	Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents O. Kalugin , B. Marekha , I. Voroshylova , V. Chaban , A. Ryabchunova EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Sep 2013, Lille, France Communication dans un congrès hal-00946595v1
	Dynamics, solvation and interionic interactions in mixtures of room temperature ionic liquid and molecular solvent: a multi technique approach B. Marekha , O. Kalugin , A. Idrissi , M. Bria 33rd International Conference on Solution Chemistry, Jul 2013, Kyoto, Japan Communication dans un congrès hal-00946533v1
	Competition between solvation and ionic association in mixtures of ionic liquid and polar molecular solvents B. Marekha , O. Kalugin , A. Idrissi , M. Bria EMLG - JMLG annual meeting 2013 "Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation", Sep 2013, Lille, France Communication dans un congrès hal-00946601v1

	The local structure in C4mimPF6/acetonitrile mixture: The charge distribution effect V. Koverga , Y. Smortsova , F.A. Miannay , B. Marekha , O. Kalugin EMLG - JMLG annual meeting 2017, Sep 2017, Vienne, Austria Poster de conférence hal-01592067v1
	Solvation dynamics and rotation of C153 in a new ionic liquid/molecular solvent mixture model Y. Smortsova , F.A. Miannay , B. Marekha , J. Dubois , A. Idrissi EMLG - JMLG annual meeting 2016, Sep 2016, Chania, Greece Poster de conférence hal-01459200v1
	Revealing the mode of interaction between Mcl-1 and its oligopyridine based foldameric inhibitors: a coupled molecular modeling-NMR perspective Bogdan A. Marekha , Asma Bourafai Aziez , Muriel Sebban , Hassan Oulyadi , Jana Sopkova-de Oliveira Santos Interfacing Chemical Biology and Drug Discovery (RICT), Jul 2016, Caen, France Poster de conférence hal-02548501v1
	Dynamique de solvatation de la coumarine dans les mélanges liquides ionques/carbonate de propylène : analyse par spectroscopie de fluorescence Y. Smortsova , F.A. Miannay , B. Marekha , V.A. Koverga , O. Kalugin SCF'15 - Congrès de la Société Chimique de France, May 2015, Lille, France Poster de conférence hal-01267283v1
	Translational diffusion in mixtures of dialkylimidazolium ionic liquids with polar aprotic solvents B. Marekha , M. Bria , A. Idrissi , O. Kalugin EUCHEM - Molten Salts and Ionic Liquids XXV, Jul 2014, Tallinn, Estonia Poster de conférence hal-01137496v1

	Editorial of special issue ELMG/JMLG 2013 A. Idrissi , B. Marekha , M.A. Ricci EMLG - JMLG annual meeting 2013 - Global Perspectives on the Structure and Dynamics of Liquids and Mixtures: Experiment and Simulation, Sep 2013, Lille, France. 205, pp.1, 2015, ⟨10.1016/j.molliq.2015.03.049⟩ Proceedings/Recueil des communications hal-01168622v1

	Influence of pump laser fluence on ultrafast structural changes in myoglobin Thomas R.M. Barends , Swarnendu Bhattacharyya , Alexander Gorel , Giorgio Schiro , Camila Bacellar 2023 Pré-publication, Document de travail hal-04291587v1

Bogdan Marekha

Présentation

Domaines de recherche

Compétences

Publications

Structure et dynamique microscopiques dans les mélanges de liquides ioniques à base d’imidazolium et de solvants polaires aprotiques : RMN, spectroscopie Raman et modélisation moléculaire

Detection of a Jahn-Teller mode as an ultrafast fingerprint of spin-transition-induced charge transfer in CoFe Prussian Blue Analogue

Dynamic catcher for stabilization of high-viscosity extrusion jets

Towards panchromatic Fe( ii ) NHC sensitizers via HOMO inversion

A single methyl group drastically changes urea’s hydration dynamics

Effects of self-hydrogen bonding among formamide molecules on the UCST-type liquid–liquid phase separation of binary solutions with imidazolium-based ionic liquid, [C n mim][TFSI], studied by NMR, IR, MD simulations, and SANS

Assessment of the UCST-type liquid–liquid phase separation mechanism of imidazolium-based ionic liquid, [C 8 mim][TFSI], and 1,4-dioxane by SANS, NMR, IR, and MD simulations

Composition-Dependent Hydrogen-Bonding Motifs and Dynamics in Brønsted Acid–Base Mixtures

Towards Iron(II) Complexes with Octahedral Geometry

Mixing states of imidazolium-based ionic liquid, [C 4 mim][TFSI], with cycloethers studied by SANS, IR, and NMR experiments and MD simulations

Specific Ion Effects on an Oligopeptide: Bidentate Binding Matters for the Guanidinium Cation

Hydrogen‐Bond Structure and Dynamics of TADDOL Asymmetric Organocatalysts Correlate with Catalytic Activity

Hydrophobic pattern of alkylated ureas markedly affects water rotation and hydrogen bond dynamics in aqueous solution

Binding mode of Pyridoclax to Myeloid cell leukemia-1 (Mcl-1) revealed by Nuclear Magnetic Resonance Spectroscopy, Docking and Molecular Dynamics Approaches

Hydrogen bonds of the imidazolium rings of ionic liquids with DMSO studied by NMR, soft X-ray spectroscopy, and SANS

The local structure in the BmimPF 6 /acetonitrile mixture: the charge distribution effect

Structure-guided design of pyridoclax derivatives based on Noxa / Mcl-1 interaction mode

Competition between cation–solvent and cation–anion interactions in imidazolium ionic liquids with polar aprotic solvents

ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids CnmimTFSA (n = 2–12) with DMSO

ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C n mimTFSA ( n = 2–12) with DMSO

Toward Understanding Mcl-1 Promiscuous and Specific Binding Mode

A new potential model for acetonitrile: Insight into the local structure organization

Solvation dynamics and rotation of coumarin 153 in a new ionic liquid/molecular solvent mixture model: [BMIM][TFSI]/propylene carbonate

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

Local lateral environment of the molecules at the surface of DMSO-water mixtures

Local structure in terms of nearest-neighbor approach in 1-Butyl-3-methylimidazolium-Based ionic liquids: MD simulations

Luteolin organic solvent interactions. A molecular dynamics simulation analysis

Intermolecular interactions in mixtures of 1-n-butyl-3-methylimidazolium acetate and water: Insights from IR, Raman, NMR spectroscopy and quantum chemistry calculations

The local environment of the molecules in water-DMSO mixtures, as seen from computer simulations and Voronoi polyhedra analysis

Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis

Intermolecular interactions, ion solvation, and association in mixtures of 1-n-butyl-3-methylimidazolium hexafluorophosphate and γ-butyrolactone: Insights from Raman spectroscopy

Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative 1H and 13C NMR chemical shifts

Thermodynamics of mixing water with dimethyl sulfoxide, as seen from computer simulations

Inhomogeneous distribution in methanol/acetone mixture: vibrational and NMR spectroscopy analysis

Translational diffusion in mixtures of imidazolium ILs with polar aprotic molecular solvents

Microscopic interactions of the imidazolium-based ionic liquid with molecular liquids depending on their electron-donicity

Free energy of mixing of acetone and methanol: A computer simulation investigation

Heterogeneous Wide Range pH-sensing Materials Allowing Ratiometric Fluorescence Detection Based on Structurally Rigid Analogs of 2,6-distyrylpyridine

Probing Structural patterns of ion association and solvation dynamics of imidazolium ionic liquids with acetonitrile, propylene carbonate and gamma-Butyrolactone: A molecular dynamics analysis

Local structure of dilute aqueous DMSO solutions, as seen from molecular dynamics simulations

Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents

Microscopic structure and dynamics in mixtures of imidazolium-based ionic liquids with polar aprotic solvents: Vibration spectroscopy , NMR and molecular modeling

Translational and rotational dynamics of imidazolium bazed ionic liquids in acetonitrile

Luteolin-organic solvent interactions: A molecular dynamics simulation analysis

Mixing states of imidazolium-based ionic liquid in dimethyl sulfoxide, methanol, and acetonitrile studied with NMR, Raman, and ATR-IR techniques

Structure and dynamics of the binary systems based on imidazolium room temperature ionic liquids with polar solvents

Dynamics, solvation and interionic interactions in mixtures of room temperature ionic liquid and molecular solvent: a multi technique approach

Competition between solvation and ionic association in mixtures of ionic liquid and polar molecular solvents

The local structure in C4mimPF6/acetonitrile mixture: The charge distribution effect

Solvation dynamics and rotation of C153 in a new ionic liquid/molecular solvent mixture model

Revealing the mode of interaction between Mcl-1 and its oligopyridine based foldameric inhibitors: a coupled molecular modeling-NMR perspective

Dynamique de solvatation de la coumarine dans les mélanges liquides ionques/carbonate de propylène : analyse par spectroscopie de fluorescence

Translational diffusion in mixtures of dialkylimidazolium ionic liquids with polar aprotic solvents

Editorial of special issue ELMG/JMLG 2013

Influence of pump laser fluence on ultrafast structural changes in myoglobin

Mixing states of imidazolium-based ionic liquid, [C ₄ mim][TFSI], with cycloethers studied by SANS, IR, and NMR experiments and MD simulations

The local structure in the BmimPF ₆ /acetonitrile mixture: the charge distribution effect

ATR-IR spectroscopic observation on intermolecular interactions in mixtures of imidazolium-based ionic liquids C_nmimTFSA (n = 2–12) with DMSO

Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative ¹H and ¹³C NMR chemical shifts