نتائج البحث - "Aidas, Kestutis"

1

Academic Journal

Probing structural and dynamic properties of MAPbCl3 hybrid perovskite using Mn2+ EPR /

المؤلفون: Usevičius, Gediminas, Turčak, Justinas, Zhang, Yuxuan, Eggeling, Andrea, Einorytė, Žyginta, Hope, Michael Allan, Svirskas, Šarūnas, Klose, Daniel, Kalendra, Vidmantas, Aidas, Kęstutis, Jeschke, Gunnar, Banys, Jūras, Šimėnas, Mantas

المصدر: Dalton transactions., Cambridge : Royal Society of Chemistry, 2024, vol. 53, iss. 17, p. 7292-7302. ; ISSN 1477-9226 ; eISSN 1477-9234

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:199713352/199713352.pdf; https://repository.vu.lt/VU:ELABAPDB199713352&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB199713352&prefLang=en_US

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2

Academic Journal

Probing structural and dynamic properties of MAPbCl 3 hybrid perovskite using Mn 2+ EPR

المؤلفون: Usevičius, Gediminas, Turčak, Justinas, Zhang, Yuxuan, Eggeling, Andrea, Einorytė, Žyginta, Hope, Michael Allan, Svirskas, Šarūnas, Klose, Daniel, Kalendra, Vidmantas, Aidas, Kestutis, Jeschke, Gunnar, Banys, Jūras, Šimėnas, Mantas

المساهمون: Lietuvos Mokslo Taryba, European Cooperation in Science and Technology, Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

المصدر: Dalton Transactions ; volume 53, issue 17, page 7292-7302 ; ISSN 1477-9226 1477-9234

الاتاحة: http://dx.doi.org/10.1039/d4dt00116h
http://pubs.rsc.org/en/content/articlepdf/2024/DT/D4DT00116H

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3

Conference

Structural and NMR properties of ionic liquid systems modelled by an integrated MD-QM/MM approach / ; Joninių skysčių struktūros ir BMR spektrinių savybių modeliavimas MD simuliacijomis bei jungtiniais QM/MM metodais.

المؤلفون: Aidas, Kęstutis, Lengvinaitė, Dovilė, Sipavičius, Einaras, Klimavičius, Vytautas, Mocci, Francesca, Laaksonen, Aatto

المصدر: 45-oji Lietuvos nacionalinė fizikos konferencija, 2023 m. spalio 25 - 27d., Vilnius : programa ir pranešimų tezės., Vilnius : Vilniaus universiteto leidykla, 2023, O1, p. 35. ; eISBN 9786090709818

مصطلحات موضوعية: ionic liquids, molecular dynamics simulations, quantum mechanics, nuclear magnetic resonance

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:187877481/187877481.pdf; https://repository.vu.lt/VU:ELABAPDB187877481&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB187877481&prefLang=en_US

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4

Conference

Modelling glibenclamide in aqueous mixtures of bioactive ionic liquids /

المؤلفون: Einorytė, Žyginta, Klimavičius, Vytautas, Aidas, Kęstutis

المصدر: Open readings 2023: 66th international conference for students of physics and natural sciences, April 18-21, 2023, Vilnius, Lithuania: annual abstract book / editors: M. Keršys, Š. Mickus., Vilnius : Vilnius University Press, 2023, p. 49. ; eISBN 9786090708835

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:187499451/187499451.pdf; https://repository.vu.lt/VU:ELABAPDB187499451&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB187499451&prefLang=en_US

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5

Academic Journal

17O NMR and DFT study of hydrogen bonding: Proton sharing and incipient transfer ; Vandenilinio ryšio tyrimas taikant 17O BMR ir tankio funkcionalo teoriją: protono dalybos ir pradinė pernaša

المؤلفون: Balevičius, Vytautas, Aidas, Kęstutis, Maršalka, Arūnas, Kuliešius, Feliksas, Jakubkienė, Virginija, Tumkevičius, Sigitas

المصدر: Lithuanian journal of physics, Vilnius : Lithuanian Academy of Sciences, 2022, vol. 62, iss. 2, p. 114-125 ; ISSN 1648-8504 ; eISSN 2424-3647

مصطلحات موضوعية: NMR spectra, hydrogen bond, proton transfer, pyridine N-oxide

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:153093938/153093938.pdf; https://repository.vu.lt/VU:ELABAPDB153093938&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB153093938&prefLang=en_US

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6

Academic Journal

Step-by-step from amorphous phosphate to nano-structured calcium hydroxyapatite: monitoring by solid-state 1 H and 31 P NMR and spin dynamics

المؤلفون: Klimavicius, Vytautas, Maršalka, Arūnas, Kizalaite, Agne, Zarkov, Aleksej, Kareiva, Aivaras, Aidas, Kęstutis, Hirschinger, Jérôme, Balevicius, Vytautas

المساهمون: Institut de Chimie de Strasbourg, Université de Strasbourg (UNISTRA)-Institut de Chimie - CNRS Chimie (INC-CNRS)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 1463-9076.

مصطلحات موضوعية: [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-03843188; https://hal.science/hal-03843188; https://hal.science/hal-03843188/document; https://hal.science/hal-03843188/file/PCCP%202022,%2024,%2018952-18965.pdf

الاتاحة: https://hal.science/hal-03843188
https://hal.science/hal-03843188/document
https://hal.science/hal-03843188/file/PCCP%202022,%2024,%2018952-18965.pdf
https://doi.org/10.1039/D2CP02108K

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7

Academic Journal

Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water:Insight from a 1 H NMR Experimental and QM/MD Study

المؤلفون: Lengvinaitė, Dovilė, Kvedaraviciute, Sonata, Bielskutė, Stasė, Klimavicius, Vytautas, Balevicius, Vytautas, Mocci, Francesca, Laaksonen, Aatto, Aidas, Kęstutis

المصدر: Lengvinaitė , D , Kvedaraviciute , S , Bielskutė , S , Klimavicius , V , Balevicius , V , Mocci , F , Laaksonen , A & Aidas , K 2021 , ' Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water : Insight from a 1 H NMR Experimental and QM/MD Study ' , Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical , vol. 125 , no. 48 , pp. 13255–13266 . https://doi.org/10.1021/acs.jpcb.1c08215

وصف الملف: application/pdf

Relation: https://orbit.dtu.dk/en/publications/fae74cb4-95e8-4042-9206-d6eb8a856968

الاتاحة: https://orbit.dtu.dk/en/publications/fae74cb4-95e8-4042-9206-d6eb8a856968
https://doi.org/10.1021/acs.jpcb.1c08215
https://backend.orbit.dtu.dk/ws/files/264050169/acs.jpcb.1c08215.pdf

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8

Academic Journal

Solid-State NMR and Impedance Spectroscopy Study of Spin Dynamics in Proton-Conducting Polymers: An Application of Anisotropic Relaxing Model

المؤلفون: Klimavicius, Vytautas, Dagys, Laurynas, Klimkevičius, Vaidas, Lengvinaitė, Dovilė, Aidas, Kęstutis, Balčiu̅nas, Sergejus, Banys, Juras, Chizhik, Vladimir, Balevicius, Vytautas

المساهمون: European Social Fund

المصدر: The Journal of Physical Chemistry B ; volume 125, issue 45, page 12592-12602 ; ISSN 1520-6106 1520-5207

الاتاحة: http://dx.doi.org/10.1021/acs.jpcb.1c06533
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.1c06533

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9

Academic Journal

Probing structural and dynamic properties of MAPbCl3 hybrid perovskite using Mn²⁺ EPR.

المؤلفون: Usevičius, Gediminas, Turčak, Justinas, Yuxuan Zhang, Eggeling, Andrea, Einorytė, Žyginta, Hope, Michael Allan, Svirskas, Šarūnas, Klose, Daniel, Kalendra, Vidmantas, Aidas, Kestutis, Jeschke, Gunnar, Banys, Jūras, Šimėnas, Mantas

المصدر: Dalton Transactions: An International Journal of Inorganic Chemistry; 5/7/2024, Vol. 53 Issue 17, p7292-7302, 11p

مصطلحات موضوعية: ELECTRON spin echoes, EINSTEIN-Podolsky-Rosen experiment, ELECTRON paramagnetic resonance, SPIN-lattice relaxation, PHASE transitions, QUANTUM tunneling, HYPERFINE structure

10

Academic Journal

Computational NMR study of ion pairing of 1‑decyl-3-methyl-imidazolium chloride in molecular solvents /

المؤلفون: Lengvinaitė, Dovilė, Klimavičius, Vytautas, Balevičius, Vytautas, Aidas, Kęstutis

المصدر: The journal of physical chemistry B., Washington : American Chemical Society, 2020, vol. 124, no. 47, p. 10776-10786. ; ISSN 1520-6106 ; eISSN 1520-5207

مصطلحات موضوعية: solvents, anions, cations, molecules, ions

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:77000917/77000917.pdf; https://repository.vu.lt/VU:ELABAPDB77000917&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB77000917&prefLang=en_US

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11

Academic Journal

Magnetic excitation and readout of methyl grouptunnel coherence /

المؤلفون: Šimėnas, Mantas, Klose, D., Ptak, M., Aidas, Kęstutis, Mączka, M., Banys, Jūras, Pöppl, A., Jeschke, G.

المصدر: Science advances., Washington : American Association for the Advancement of Science, 2020, Vol. 6, no. 18, art. no. eaba1517, p. 1-8. ; eISSN 2375-2548

مصطلحات موضوعية: quantum rotor, quantum tunnelling, metal organic framework, electron paramagnetic resonance

وصف الملف: application/pdf

Relation: https://epublications.vu.lt/object/elaba:64094003/64094003.pdf; https://repository.vu.lt/VU:ELABAPDB64094003&prefLang=en_US

الاتاحة: https://repository.vu.lt/VU:ELABAPDB64094003&prefLang=en_US

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12

Academic Journal

Magnetic excitation and readout of methyl group tunnel coherence

المؤلفون: Šimėnas, Mantas, Klose, Daniel, Ptak, Maciej, Aidas, Kęstutis, Ma̧czka, Mirosław, Banys, Jūras, Pöppl, Andreas, Jeschke, Gunnar

المصدر: Science Advances, 6 (18)

وصف الملف: application/application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000531089700044; http://hdl.handle.net/20.500.11850/413214

الاتاحة: https://hdl.handle.net/20.500.11850/413214
https://doi.org/10.3929/ethz-b-000413214

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13

Academic Journal

Fine structural features and proton conduction in zwitterionic poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC): Multinuclear solid-state NMR, impedance and FTIR spectroscopy study

المؤلفون: Klimavicius, Vytautas, Klimkevicius, Vaidas, Aidas, Kęstutis, Balčiūnas, Sergejus, Banys, Juras, Makuska, Ricardas, Balevicius, Vytautas

المساهمون: Research Council of Lithuania

المصدر: Reactive and Functional Polymers ; volume 192, page 105727 ; ISSN 1381-5148

الاتاحة: http://dx.doi.org/10.1016/j.reactfunctpolym.2023.105727
https://api.elsevier.com/content/article/PII:S1381514823002304?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S1381514823002304?httpAccept=text/plain

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14

Academic Journal

Pulse EPR and ENDOR study of manganese doped [(CH3)2NH2][Zn(HCOO)3] hybrid perovskite framework

المؤلفون: Šimėnas, Mantas, Lucyna, Macalik, Aidas, Kęstutis, Kalendra, Vidmantas, Daniel, Klose, Gunnar, Jeschke, Miroslavw, Maczka, Georg, Völkel, Banys, Jūras, Andreas, Poppl

المصدر: Journal of physical chemistry C, Washington : American Chemical Society, 2017, Vol. 121, no 48, p. 27225-27232 ; ISSN 1932-7447 ; eISSN 1932-7455

مصطلحات موضوعية: proton, electron, temperature

Relation: http://vu.lvb.lt/VU:ELABAPDB24909461&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB24909461&prefLang=en_US

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15

Academic Journal

The Dalton quantum chemistry program system

المؤلفون: Aidas, Kestutis, Angeli, Celestino, Bak, Keld L., Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonja, Dahle, Pål, Dalskov, Erik K., Ekström, Ulf Egil, Enevoldsen, Thomas, Eriksen, Janus J., Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hattig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stine, Høyvik, Ida Marie, Iozzi, Maria Francesca, Jansik, Brannislav, Jensen, Hans-Jørgen Aa., Jonsson, Dan Johan, Jørgensen, Poul, Kauczor, Johanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B., Melo, Juan I., Mikkelsen, Kurt V., Myhre, Rolf Heilemann, Neiss, Christian, Nielsen, Christian B., Norman, Patrick, Olsen, Jeppe, Olsen, Jogvan Magnus H., Osted, Anders, Packer, Martin J., Pawlowski, Filip, Pedersen, Thomas Bondo, Provasi, Patricio F., Reine, Simen Sommerfelt, Rinkevicius, Zilvinas, Ruden, Torgeir A., Ruud, Kenneth, Rybkin, Vladimir V., Salek, Pawel, Samson, Claire C. M., Sanchez de Meras, Alfredo, Saue, Trond, Sauer, Stephan P. A., Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn Hykkerud, Sylvester-Hvid, Kristian O., Taylor, Peter R., Teale, Andrew M., Tellgren, Erik, Tew, David P., Thorvaldsen, Andreas J., Thøgersen, Lea, Vahtras, Olav, Watson, Mark A., Wilson, David J. D., Ziolkowski, Marcin, Ågren, Hans

مصطلحات موضوعية: VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440::Teoretisk kjemi, kvantekjemi: 444, VDP::Mathematics and natural science: 400::Chemistry: 440::Theoretical chemistry, quantum chemistry: 444

Relation: Wiley Interdisciplinary Reviews. Computational Molecular Science; Norges forskningsråd: 179568; Notur/NorStore: nn2962k; Forsvarets forskningsinstitutt: 1258; info:eu-repo/grantAgreement/RCN/SFF/179568/Norway/CTCC//; Aidas K . [et. al.]: The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 2014;4(3):269-284; FRIDAID 1093240; https://hdl.handle.net/10037/11674

الاتاحة: https://hdl.handle.net/10037/11674
https://doi.org/10.1002/wcms.1172

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16

Academic Journal

FTIR/PCA study of propanol in argon matrix: the initial stage of clustering and conformational transitions

المؤلفون: Doroshenko, Iryna, Balevicius, Vytautas, Pitsevich, George, Aidas, Kestutis, Sablinskas, Valdas, Pogorelov, Valeriy

مصطلحات موضوعية: ЭБ БГУ::ЕСТЕСТВЕННЫЕ И ТОЧНЫЕ НАУКИ::Физика

Relation: Low Temperature Physics/Fizika Nizkikh Temperatur, 2014, v. 40, No. 12, pp. 1384-1390; https://elib.bsu.by/handle/123456789/272196

الاتاحة: https://elib.bsu.by/handle/123456789/272196

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17

Conference

Molekulinė agregacija skystoje acto rūgštyje: struktūrinių ir BMR parametrų modeliavimas kvantinės mechanikos/molekulinės mechanikos metodais ; Molecular aggregation in liquid acetic acid: insights from molecular dynamics/quantum mechanics modelling of structural and NMR properties

المؤلفون: Lengvinaitė, Dovilė, Aidas, Kęstutis, Kimtys, Liudvikas

المصدر: 43-ioji Lietuvos nacionalinė fizikos konferencija, 2019 m. spalio 3-5 d., Kaunas : pranešimų medžiaga, Kaunas : Kauno technologijos universitetas, 2019, p. 51 ; eISBN 9786090216385

Relation: http://vu.lvb.lt/VU:ELABAPDB56660200&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB56660200&prefLang=en_US

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18

Conference

DFT and SMD modelling of aqueous acidities and tautomeric equilibrium constantsof some drug-like molecules ; Vaistinių junginių rūgštingumo ir tautomerinėspusiausvyros konstantų modeliavimas taikant tankio funkcionalo teoriją ir SMD modelį

المؤلفون: Aidas, Kęstutis

المصدر: 43-ioji Lietuvos nacionalinė fizikos konferencija, 2019 m. spalio 3-5 d., Kaunas : pranešimų medžiaga, Kaunas : Kauno technologijos universitetas, 2019, p. 50 ; eISBN 9786090216385

مصطلحات موضوعية: tankio funkcionalo teorija, rūgštingumo konstanta, tautomerinės pusiausvyros konstanta

Relation: http://vu.lvb.lt/VU:ELABAPDB56652240&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB56652240&prefLang=en_US

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19

Academic Journal

Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution

المؤلفون: Cedillo, Andrés, Kvedaravičiūtė, Sonata, Aidas, Kęstutis

المصدر: Theoretical chemistry accounts, New York : Springer, 2020, vol. 139, iss. 3, art. no. 52, p. [1-11] ; ISSN 1432-881X ; eISSN 1432-2234

مصطلحات موضوعية: Tautomerism, Acidity constant, Solvation effects, Phenacylpyridine

Relation: http://vu.lvb.lt/VU:ELABAPDB63493370&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB63493370&prefLang=en_US

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20

Academic Journal

CP MAS kinetics in soft matter: Spin diffusion, local disorder and thermal equilibration in poly(2-hydroxyethyl methacrylate)

المؤلفون: Dagys, Laurynas, Klimkevičius, Vaidas, Klimavičius, Vytautas, Aidas, Kęstutis, Makuška, Ričardas, Balevičius, Vytautas

المصدر: Solid state nuclear magnetic resonance, San Diego, CA : Academic Press Inc. Elsevier science, 2020, vol. 105, art. no. 101641, p. [1-9] ; ISSN 0926-2040 ; eISSN 1527-3326

مصطلحات موضوعية: Solid-state NMR, Spin diffusion, Thermal equilibration, Fractals poly(2-hydroxyethyl methacrylate)

Relation: http://vu.lvb.lt/VU:ELABAPDB51205075&prefLang=en_US

الاتاحة: http://vu.lvb.lt/VU:ELABAPDB51205075&prefLang=en_US

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