Search Results - Nicu, Valentin Paul

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  1. 1
    Understanding Solvent Effects in Vibrational Circular Dichroism Spectra: [1,1′-Binaphthalene]-2,2′-diol in Dichloromethane, Acetonitrile, and Dimethyl Sulfoxide Solvents

    Understanding Solvent Effects in Vibrational Circular Dichroism Spectra: [1,1′-Binaphthalene]-2,2′-diol in Dichloromethane, Acetonitrile, and Dimethyl Sulfoxide Solvents by Nicu, Valentin Paul, Baerends, Evert Jan, Polavarapu, Prasad L

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  2. 2
    Effects of Complex Formation on Vibrational Circular Dichroism Spectra

    Effects of Complex Formation on Vibrational Circular Dichroism Spectra by Nicu, Valentin Paul, Baerends, Evert Jan

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  3. 3
    Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell

    Vibrational Circular Dichroism of Thiolate-Protected Au25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell by Sels, Annelies, Azoulay, Raymond, Buma, Wybren Jan, Koenis, Mark A. J, Nicu, Valentin Paul, Bürgi, Thomas

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  4. 4
    Importance of C–H Based Modes and Large Amplitude Motion Effects in Vibrational Circular Dichroism Spectra: The Case of the Chiral Adduct of Dimethyl Fumarate and Anthracene

    Importance of C–H Based Modes and Large Amplitude Motion Effects in Vibrational Circular Dichroism Spectra: The Case of the Chiral Adduct of Dimethyl Fumarate and Anthracene by Passarello, Marco, Abbate, Sergio, Longhi, Giovanna, Lepri, Susan, Ruzziconi, Renzo, Nicu, Valentin Paul

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  5. 5
    The Importance of Large-Amplitude Motions for the Interpretation of Mid-Infrared Vibrational Absorption and Circular Dichroism Spectra: 6,6′-Dibromo-[1,1′-binaphthalene]-2,2′-diol in Dimethyl Sulfoxide

    The Importance of Large-Amplitude Motions for the Interpretation of Mid-Infrared Vibrational Absorption and Circular Dichroism Spectra: 6,6′-Dibromo-[1,1′-binaphthalene]-2,2′-diol... by Heshmat, Mojgan, Baerends, Evert Jan, Polavarapu, Prasad L, Nicu, Valentin Paul

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  6. 6
    On the Complementarity of ECD and VCD Techniques

    On the Complementarity of ECD and VCD Techniques by Nicu, Valentin Paul, Mándi, Attila, Kurtán, Tibor, Polavarapu, Prasad L.

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  7. 7
    Enhancement of IR and VCD intensities due to charge transfer

    Enhancement of IR and VCD intensities due to charge transfer by NICU, Valentin Paul, AUTSCHBACH, Jochen, JAN BAERENDS, Evert

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  8. 8
    Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra

    Signatures of counter-ion association and hydrogen bonding in vibrational circular dichroism spectra by NICU, Valentin Paul, HESHMAT, Mojgan, JAN BAERENDS, Evert

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  9. 9
    A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes

    A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes by Nicu, Valentin Paul, Neugebauer, Johannes, Wolff, Stephen K., Baerends, Evert Jan

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  10. 10
    Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals

    Revisiting an old concept: the coupled oscillator model for VCD. Part 1: the generalised coupled oscillator mechanism and its intrinsic connection to the strength of VCD signals by Nicu, Valentin Paul

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  11. 11
    Revisiting an old concept: the coupled oscillator model for VCD. Part 2: implications of the generalised coupled oscillator mechanism for the VCD robustness concept

    Revisiting an old concept: the coupled oscillator model for VCD. Part 2: implications of the generalised coupled oscillator mechanism for the VCD robustness concept by Nicu, Valentin Paul

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  12. 12
    Simplified and enhanced VCD analysis of cyclic peptides guided by artificial intelligence

    Simplified and enhanced VCD analysis of cyclic peptides guided by artificial intelligence by Batista, João M, Nicu, Valentin Paul

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  13. 13
    Photonically active bowtie nanoassemblies with chirality continuum

    Photonically active bowtie nanoassemblies with chirality continuum by Kumar, Prashant, Vo, Thi, Cha, Minjeong, Visheratina, Anastasia, Kim, Ji-Young, Xu, Wenqian, Schwartz, Jonathan, Simon, Alexander, Katz, Daniel, Nicu, Valentin Paul, Marino, Emanuele, Choi, Won Jin, Veksler, Michael, Chen, Si, Murray, Christopher, Hovden, Robert, Glotzer, Sharon, Kotov, Nicholas A.

    Published in Nature (London)
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  14. 14
    Molecule-like and lattice vibrations in metal clusters

    Molecule-like and lattice vibrations in metal clusters by Ramankutty, Krishnadas Kumaranchira, Yang, Huayan, Baghdasaryan, Ani, Teyssier, Jeremie, Nicu, Valentin Paul, Buergi, Thomas

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  15. 15
    Raman Spectroscopic Fingerprints of Atomically Precise Ligand Protected Noble Metal Clusters: Au38(PET)24 and Au38−xAgx(PET)24

    Raman Spectroscopic Fingerprints of Atomically Precise Ligand Protected Noble Metal Clusters: Au38(PET)24 and Au38−xAgx(PET)24 by Krishnadas, Kumaranchira Ramankutty, Baghdasaryan, Ani, Kazan, Rania, Banach, Ewa, Teyssier, Jeremie, Nicu, Valentin Paul, Buergi, Thomas

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  16. 16
    Raman Spectroscopic Fingerprints of Atomically Precise Ligand Protected Noble Metal Clusters: Au 38 (PET) 24 and Au 38− x Ag x (PET) 24

    Raman Spectroscopic Fingerprints of Atomically Precise Ligand Protected Noble Metal Clusters: Au 38 (PET) 24 and Au 38− x Ag x (PET) 24 by Krishnadas, Kumaranchira Ramankutty, Baghdasaryan, Ani, Kazan, Rania, Banach, Ewa, Teyssier, Jeremie, Nicu, Valentin Paul, Buergi, Thomas

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  17. 17
    Cover Picture: An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies (Angew. Chem. Int. Ed. 38/2023)

    Cover Picture: An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies (Angew. Chem. Int. Ed. 38/2023) by Marton, Gabriel, Koenis, Mark A. J., Liu, Hong‐Bing, Bewley, Carole A., Buma, Wybren Jan, Nicu, Valentin Paul

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  18. 18
    Robust normal modes in vibrational circular dichroism spectra

    Robust normal modes in vibrational circular dichroism spectra by NICU, Valentin Paul, JAN BAERENDS, Evert

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  19. 19
    An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies

    An Artificial Intelligence Approach for Tackling Conformational Energy Uncertainties in Chiroptical Spectroscopies by Marton, Gabriel, Koenis, Mark A J, Liu, Hong-Bing, Bewley, Carole A, Buma, Wybren Jan, Nicu, Valentin Paul

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  20. 20
    Vibrational Circular Dichroism of Thiolate-Protected Au 25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell

    Vibrational Circular Dichroism of Thiolate-Protected Au 25 Clusters: Accurate Prediction of Spectra and Chirality Transfer within the Mixed Ligand Shell by Sels, Annelies, Azoulay, Raymond, Buma, Wybren Jan, Koenis, Mark A. J., Nicu, Valentin Paul, Bürgi, Thomas

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