xmlui.ArtifactBrowser.ConfigurableBrowse.title.metadata.authorfi=Avoin saatavuus|en=Open access|"Vaara, Juha"

Ab initio paramagnetic NMR shifts via point-dipole approximation in a large magnetic-anisotropy Co(II) complex

Mareš, Jiří; Vaara, Juha
PCCP. Physical chemistry chemical physics : 35 (Royal Society of Chemistry, 20.08.2018)

Assignment of solid-state ¹³C and ¹H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations

Rouf, Syed Awais; Jakobsen, Vibe Boel; Mareš, Jiří; Jensen, Nicholai Daugaard; McKenzie, Christine J.; Vaara, Juha; Nielsen, Ulla Gro
Solid state nuclear magnetic resonance (Elsevier, 17.07.2017)

Brownian translational dynamics on a flexible surface : nuclear spin relaxation of fluid membrane phases

Håkansson, Pär; Boirin, Tom; Vaara, Juha
Langmuir : 12 (American Chemical Society, 25.02.2018)

Calculation of scalar nuclear spin-spin coupling in a noble-gas mixture

Vaara, Juha; Romalis, Michael V.
Physical review. A : 6 (American Physical Society, 12.06.2019)

Characteristic nuclear spin-induced optical rotation in oxygen-containing organic molecules

Kamula, Eelis; Vaara, Juha; Štěpánek, Petr
Physical chemistry chemical physics : 40 (Royal society of chemistry, 02.10.2023)

Characterization of pore structures of hydrated cements and natural shales by ¹²⁹Xe NMR spectroscopy

Zhou, Bing; Komulainen, Sanna; Vaara, Juha; Telkki, Ville-Veikko
Microporous and mesoporous materials (Elsevier, 20.06.2017)

Chemical shift extremum of ¹²⁹Xe(aq) reveals details of hydrophobic solvation

Peuravaara, Petri; Karjalainen, Jouni; Zhu, Jianfeng; Mareš, Jiří; Lantto, Perttu; Vaara, Juha
Scientific reports (Springer Nature, 04.05.2018)

Computational NMR of the iron pyrazolylborate complexes [Tp₂Fe]⁺ and Tp₂Fe including solvation and spin-crossover effects

Pyykkönen, Ari; Vaara, Juha
PCCP. Physical chemistry chemical physics : 4 (Royal Society of Chemistry, 27.12.2022)

Determination of pore structures and dynamics of fluids in hydrated cements and natural shales by various <sup>1</sup>H and <sup>129</sup>Xe NMR methods

Javed, Muhammad Asadullah; Komulainen, Sanna; Daigle, Hugh; Zhang, Boyang; Vaara, Juha; Zhou, Bing; Telkki, Ville-Veikko
Microporous and mesoporous materials (Elsevier, 01.03.2019)

Direct enantiomeric discrimination through antisymmetric hyperfine coupling

Garbacz, Piotr; Vaara, Juha
Chemical communications : 67 (Royal Society of Chemistry, 29.07.2021)

Direct magnetic-field dependence of NMR chemical shift

Kantola, Anu M.; Lantto, Perttu; Heinmaa, Ivo; Vaara, Juha; Jokisaari, Jukka
PCCP. Physical chemistry chemical physics : 16 (Royal Society of Chemistry, 06.04.2020)

Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization

Hanni, Matti; Lantto, Perttu; Repiský, Michal; Mareš, Jiří; Saam, Brian; Vaara, Juha
Physical review. A (American Physical Society, 31.03.2017)

Energetics and exchange of xenon and water in a prototypic cryptophane-A biosensor structure

Hilla, Perttu; Vaara, Juha
PCCP. Physical chemistry chemical physics : 30

The essential role of symmetry in understanding 3He chemical shifts in endohedral helium fullerenes

Vícha, Jan; Vaara, Juha; Straka, Michal
Physical chemistry chemical physics : 15 (Royal society of chemistry, 24.03.2023)

Experimental and first-principles NMR analysis of Pt(II) complexes with O,O′-dialkyldithiophosphate ligands

Roukala, Juho; Orr, Simon T.; Hanna, John V.; Vaara, Juha; Ivanov, Alexander V.; Antzutkin, Oleg N.; Lantto, Perttu
The journal of physical chemistry. A : 42 (American Chemical Society, 30.09.2016)

Gas Uptake and Thermodynamics in Porous Liquids Elucidated by 129Xe NMR

Mailhiot, Sarah E; Peuravaara, Petri; Egleston, Benjamin D; Kearsey, Rachel J; Mareš, Jiří; Komulainen, Sanna; Selent, Anne; Kantola, Anu M; Cooper, Andrew I; Vaara, Juha; Greenaway, Rebecca L; Lantto, Perttu; Telkki, Ville-Veikko
Journal of physical chemistry letters : [Epub ahead of print 09 May 2024] (American chemical society, 09.05.2024)

Liquid-state paramagnetic relaxation from first principles

Rantaharju, Jyrki; Vaara, Juha
Physical review. A

The magnetic properties of MAl4(OH)12SO4·3H2O with M = Co2+, Ni2+, and Cu2+ determined by a combined experimental and computational approach

Andersen, Anders B A; Christiansen, Rasmus Tang; Holm-Janas, Sofie; Manvell, Anna S; Pedersen, Kasper S; Sheptyakov, Denis; Embs, Jan Peter; Jacobsen, Henrik; Dachs, Edgar; Vaara, Juha; Lefmann, Kim; Nielsen, Ulla Gro
Physical chemistry chemical physics : 4 (The Royal Society of Chemistry, 03.01.2023)

NMR chemical shift of confined ¹²⁹Xe : coordination number, paramagnetic channels and molecular dynamics in a cryptophane-A biosensor

Hilla, Perttu; Vaara, Juha
PCCP. Physical chemistry chemical physics : 34 (Royal Society of Chemistry, 07.08.2023)

Orienting spins in dually doped monolayer MoS₂ : from one-sided to double-sided doping

Vähäkangas, Jarkko; Lantto, Perttu; Vaara, Juha; Huttula, Marko; Cao, Wei
Chemical communications (Royal Society of Chemistry, 20.04.2017)

Selaus tekijän mukaan kokoelmassa Avoin saatavuus

Ab initio paramagnetic NMR shifts via point-dipole approximation in a large magnetic-anisotropy Co(II) complex ﻿

Assignment of solid-state ¹³C and ¹H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations ﻿

Brownian translational dynamics on a flexible surface : nuclear spin relaxation of fluid membrane phases ﻿

Calculation of scalar nuclear spin-spin coupling in a noble-gas mixture ﻿

Characteristic nuclear spin-induced optical rotation in oxygen-containing organic molecules ﻿

Characterization of pore structures of hydrated cements and natural shales by ¹²⁹Xe NMR spectroscopy ﻿

Chemical shift extremum of ¹²⁹Xe(aq) reveals details of hydrophobic solvation ﻿

Computational NMR of the iron pyrazolylborate complexes [Tp₂Fe]⁺ and Tp₂Fe including solvation and spin-crossover effects ﻿

Determination of pore structures and dynamics of fluids in hydrated cements and natural shales by various <sup>1</sup>H and <sup>129</sup>Xe NMR methods ﻿

Direct enantiomeric discrimination through antisymmetric hyperfine coupling ﻿

Direct magnetic-field dependence of NMR chemical shift ﻿

Electron and nuclear spin polarization in Rb-Xe spin-exchange optical hyperpolarization ﻿

Energetics and exchange of xenon and water in a prototypic cryptophane-A biosensor structure ﻿

The essential role of symmetry in understanding 3He chemical shifts in endohedral helium fullerenes ﻿

Experimental and first-principles NMR analysis of Pt(II) complexes with O,O′-dialkyldithiophosphate ligands ﻿

Gas Uptake and Thermodynamics in Porous Liquids Elucidated by 129Xe NMR ﻿

Liquid-state paramagnetic relaxation from first principles ﻿

The magnetic properties of MAl4(OH)12SO4·3H2O with M = Co2+, Ni2+, and Cu2+ determined by a combined experimental and computational approach ﻿

NMR chemical shift of confined ¹²⁹Xe : coordination number, paramagnetic channels and molecular dynamics in a cryptophane-A biosensor ﻿

Orienting spins in dually doped monolayer MoS₂ : from one-sided to double-sided doping ﻿