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Computing vibrational spectra from ab initio molecular dynamics
Computing vibrational spectra from ab initio molecular dynamics
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Computing vibrational spectra from ab initio molecular dynamics

Thomas, Martin ; Brehm, Martin ; Fligg, Reinhold ; Vöhringer, Peter ; Kirchner, Barbara

Physical chemistry chemical physics : PCCP, 2013-05, Vol.15 (18), p.668-6622 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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2
Enhancing spatial inference of air pollution using machine learning techniques with low-cost monitors in data-limited scenarios
Enhancing spatial inference of air pollution using machine learning techniques with low-cost monitors in data-limited scenarios
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Enhancing spatial inference of air pollution using machine learning techniques with low-cost monitors in data-limited scenarios

Kamigauti, Leonardo Y ; Perez, Gabriel M. P ; Martin, Thomas C. M ; de Fatima Andrade, Maria ; Kumar, Prashant

Environmental science: atmospheres, 2024-03, Vol.4 (3), p.342-35 [Periódico revisado por pares]

England: RSC

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3
Tolerance in superstructures formed from high-quality colloidal ZnO nanoparticles with hexagonal cross-section
Tolerance in superstructures formed from high-quality colloidal ZnO nanoparticles with hexagonal cross-section
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Tolerance in superstructures formed from high-quality colloidal ZnO nanoparticles with hexagonal cross-section

Theiss, Sebastian ; Voggel, Michael ; Schlötter, Moritz ; Sutter, Sebastian ; Stöckl, Martin Thomas ; Polarz, Sebastian

CrystEngComm, 2019, Vol.21 (34), p.5137-5144 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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4
Femtosecond 2DIR spectroscopy of the nitrile stretching vibration of thiocyanate anions in liquid-to-supercritical heavy water. Spectral diffusion and libration-induced hydrogen-bond dynamics
Femtosecond 2DIR spectroscopy of the nitrile stretching vibration of thiocyanate anions in liquid-to-supercritical heavy water. Spectral diffusion and libration-induced hydrogen-bond dynamics
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Femtosecond 2DIR spectroscopy of the nitrile stretching vibration of thiocyanate anions in liquid-to-supercritical heavy water. Spectral diffusion and libration-induced hydrogen-bond dynamics

Czurlok, Denis ; von Domaros, Michael ; Thomas, Martin ; Gleim, Jeannine ; Lindner, Jörg ; Kirchner, Barbara ; Vöhringer, Peter

Physical chemistry chemical physics : PCCP, 2015-01, Vol.17 (44), p.29776-29785 [Periódico revisado por pares]

England

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5
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
Voronoi dipole moments for the simulation of bulk phase vibrational spectra
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Voronoi dipole moments for the simulation of bulk phase vibrational spectra

Thomas, Martin ; Brehm, Martin ; Kirchner, Barbara

Physical chemistry chemical physics : PCCP, 2015-02, Vol.17 (5), p.3207-3213 [Periódico revisado por pares]

England

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6
Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese
Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese
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Comparison of the photochemistry of organometallic N-heterocyclic carbene and phosphine complexes of manganese

Batool, Madeeha ; Martin, Thomas A ; Naser, M Abu ; George, Michael W ; Macgregor, Stuart A ; Mahon, Mary F ; Whittlesey, Michael K

Chemical communications (Cambridge, England), 2011-10, Vol.47 (40), p.11225-11227 [Periódico revisado por pares]

England

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7
Critical nucleation mesh-size of coarsening transient colloidal networks
Critical nucleation mesh-size of coarsening transient colloidal networks
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Critical nucleation mesh-size of coarsening transient colloidal networks

Maier, Florian Johannes ; Fischer, Thomas Martin

Soft matter, 2016-01, Vol.12 (2), p.614-618 [Periódico revisado por pares]

England

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8
Hierarchically porous tungsten oxide nanotubes with crystalline walls made of the metastable orthorhombic polymorph
Hierarchically porous tungsten oxide nanotubes with crystalline walls made of the metastable orthorhombic polymorph
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Hierarchically porous tungsten oxide nanotubes with crystalline walls made of the metastable orthorhombic polymorph

Schieder, Martin ; Lunkenbein, Thomas ; Martin, Thomas ; Milius, Wolfgang ; Auffermann, Gudrun ; Breu, Josef

Journal of materials chemistry. A, Materials for energy and sustainability, 2013-01, Vol.1 (2), p.381-387 [Periódico revisado por pares]

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9
Transfer of photosynthetic NADP + /NADPH recycling activity to a porous metal oxide for highly specific, electrochemically-driven organic synthesis
Transfer of photosynthetic NADP + /NADPH recycling activity to a porous metal oxide for highly specific, electrochemically-driven organic synthesis
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Transfer of photosynthetic NADP + /NADPH recycling activity to a porous metal oxide for highly specific, electrochemically-driven organic synthesis

Siritanaratkul, Bhavin ; Megarity, Clare F ; Roberts, Thomas G ; Samuels, Thomas O M ; Winkler, Martin ; Warner, Jamie H ; Happe, Thomas ; Armstrong, Fraser A

Chemical science (Cambridge), 2017-06, Vol.8 (6), p.4579-4586 [Periódico revisado por pares]

England

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10
Spatial dynamics of lithiation and lithium plating during high-rate operation of graphite electrodes
Spatial dynamics of lithiation and lithium plating during high-rate operation of graphite electrodes
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Spatial dynamics of lithiation and lithium plating during high-rate operation of graphite electrodes

Finegan, Donal P ; Quinn, Alexander ; Wragg, David S ; Colclasure, Andrew M ; Lu, Xuekun ; Tan, Chun ; Heenan, Thomas M. M ; Jervis, Rhodri ; Brett, Dan J. L ; Das, Supratim ; Gao, Tao ; Cogswell, Daniel A ; Bazant, Martin Z ; Di Michiel, Marco ; Checchia, Stefano ; Shearing, Paul R ; Smith, Kandler

Energy & environmental science, 2020, Vol.13 (8), p.257-2584 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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