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Internal conversion induced by external electric and magnetic fields

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DOI
10.1039/d3cp05409h
Valiev, R. R.; Nasibullin, R. T.; Merzlikin, B. S.; Khoroshkin, K.; Cherepanov, V. N.; Sundholm, D.
Physical Chemistry Chemical Physics2024Publicationer information ikon

Intramolecular rate-constant calculations based on the correlation function using temperature dependent quantum Green's functions

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DOI
10.1039/d3cp05205b
Valiev, R. R.; Merzlikin, B. S.; Nasibullin, R. T.; Cherepanov, V. N.; Sundholm, D.; Kurten, T.
Physical Chemistry Chemical Physics2024Publicationer information ikon

Activation of H2 using ansa-aminoboranes: solvent effects, dynamics, and spin hyperpolarization

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DOI
10.1039/d3cp05816f
Konsewicz, Karolina; Laczkó, Gergely; Pápai, Imre; Zhivonitko, Vladimir V.
Physical chemistry chemical physics2024Publicationer information ikon

Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

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DOI
10.1039/d3cp04029a
Mailhiot, Sarah E; Tolkkinen, Katja; Henschel, Henning; Mareš, Jiří; Hanni, Matti; Nieminen, Miika T...
Physical chemistry chemical physics2024Publicationer information ikon

Experimental and computational studies of the optical properties of 2,5,8-tris(phenylthiolato)heptazine with an inverted singlet-triplet gap

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10.1039/d3cp05242g
Blasco, Daniel; Nasibullin, Rinat T.; Valiev, Rashid R.; Monge, Miguel; Lopez-de-Luzuriaga, Jose M.;...
Physical Chemistry Chemical Physics2024Publicationer information ikon

Cost-effective approach for atmospheric accretion reactions: a case of peroxy radical addition to isoprene

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DOI
10.1039/d3cp04308h
Pasik, Dominika; Iyer, Siddharth; Myllys, Nanna
Physical chemistry chemical physics2024Publicationer information ikon

Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer

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10.1039/D4CP00367E
Pihlava Lassi, Svensson Pamela H.W., Kukk Edwin, Kooser Kuno, De Santis Emiliano, Tõnisoo Arvo, Kääm...
Physical Chemistry Chemical Physics2024Publicationer information ikon

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

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10.1039/d3cp02547k
Andersen, Josefine H.; Hättig, Christof; Coriani, Sonia; Štěpánek, Petr
Physical chemistry chemical physics2024Publicationer information ikon

Chemical properties of superatomic Li3O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes

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10.1039/d3cp05478k
Wang, Xiao; Zhang, Meng; Cao, Wei
Physical chemistry chemical physics2024Publicationer information ikon

Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization

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DOI
10.1039/d3cp06079a
Razmus Weronika O., Allum Felix, Harries James, Kumagai Yoshiaki, Nagaya Kiyonobu, Bhattacharyya Sur...
Physical Chemistry Chemical Physics2024

Internal conversion induced by external electric and magnetic fields

Referentgranskad
DOI
10.1039/d3cp05409h
2024

Intramolecular rate-constant calculations based on the correlation function using temperature dependent quantum Green's functions

Referentgranskad
DOI
10.1039/d3cp05205b
2024

Activation of H2 using ansa-aminoboranes: solvent effects, dynamics, and spin hyperpolarization

Referentgranskad
Öppen tillgång
DOI
10.1039/d3cp05816f
2024

Melting of aqueous NaCl solutions in porous materials: shifted phase transition distribution (SIDI) approach for determining NMR cryoporometry pore size distributions

Referentgranskad
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DOI
10.1039/d3cp04029a
2024

Experimental and computational studies of the optical properties of 2,5,8-tris(phenylthiolato)heptazine with an inverted singlet-triplet gap

Referentgranskad
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DOI
10.1039/d3cp05242g
2024

Cost-effective approach for atmospheric accretion reactions: a case of peroxy radical addition to isoprene

Referentgranskad
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DOI
10.1039/d3cp04308h
2024

Shell-dependent photofragmentation dynamics of a heavy-atom-containing bifunctional nitroimidazole radiosensitizer

Referentgranskad
Öppen tillgång
DOI
10.1039/D4CP00367E
2024

Insights into localization, energy ordering, and substituent effect in excited states of azobenzenes from coupled cluster calculations of nuclear spin-induced circular dichroism

Referentgranskad
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DOI
10.1039/d3cp02547k
2024

Chemical properties of superatomic Li3O clusters from a density functional theory perspective: formation of chloride and adsorption behavior on graphynes

Referentgranskad
Öppen tillgång
DOI
10.1039/d3cp05478k
2024

Exploring the ultrafast and isomer-dependent photodissociation of iodothiophenes via site-selective ionization

Referentgranskad
Öppen tillgång
DOI
10.1039/d3cp06079a
2024