Spectroscopic Parameters | List of Frontiers open access articles

Original Research

Published on 20 Apr 2023

Assessment of UV-VIS spectra analysis methods for quantifying the absorption properties of chromophoric dissolved organic matter (CDOM)

in Environmental Informatics and Remote Sensing

Ruosha Zeng
Chris M. Mannaerts
Caroline Lievens

Frontiers in Environmental Science

doi 10.3389/fenvs.2023.1152536

13,027 views
11 citations

Original Research

Published on 23 Oct 2020

Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals

in Theoretical and Computational Chemistry

Vincenzo Barone
Giorgia Ceselin
Marco Fusè
Nicola Tasinato

Frontiers in Chemistry

doi 10.3389/fchem.2020.584203

6,740 views
82 citations

Original Research

Published on 04 May 2021

Thionitroxyl Radical (H2NS) Isomers: Structures, Vibrational Spectroscopy, Electronic States and Photochemistry

in Astrochemistry

Mahmoud Jarraya
Saida Ben Yaghlane
Raimund Feifel
Roberto Linguerri
Majdi Hochlaf

Frontiers in Astronomy and Space Sciences

doi 10.3389/fspas.2021.641067

3,252 views

Original Research

Published on 23 Sep 2021

Ab Initio Study of the Large Amplitude Motions of Various Monosubstituted Isotopologues of Methylamine (CH3-NH2)

in Astrochemistry

Muneerah Mogren Al-Mogren
María Luisa Senent

Frontiers in Chemistry

doi 10.3389/fchem.2021.751203

4,404 views

Original Research

Accepted on 18 Feb 2026

Raman signatures of Cnm-positive Streptococcus mutans: II, Screening the virulence of clinical isolates

in Infectious Agents and Disease

Giuseppe Pezzotti
Tetsuya Adachi
Kazunori Kitagawa
Saki Ikegami
Hayata Imamura
Toshiro Yamamoto
Kazu Okuma
Yoshiyuki Matsuo
Wenliang Zhu
Yoshiki Yasukochi

Frontiers in Microbiology

Original Research

Published on 16 Feb 2023

Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations

in Astrochemistry

Silvia Alessandrini
Luca Bizzocchi
Mattia Melosso
Cristina Puzzarini

Frontiers in Astronomy and Space Sciences

doi 10.3389/fspas.2023.1128896

3,456 views
4 citations

Original Research

Accepted on 03 Mar 2026

Raman signatures of Cnm-positive Streptococcus mutans: III, Clinical validation

in Infectious Agents and Disease

Giuseppe Pezzotti
Tetsuya Adachi
Kazunori Kitagawa
Saki Ikegami
Hayata Imamura
Toshiro Yamamoto
Kazu Okuma
Yoshiyuki Matsuo
Wenliang Zhu
Yoshiki Yasukochi

Frontiers in Microbiology

Articles

Assessment of UV-VIS spectra analysis methods for quantifying the absorption properties of chromophoric dissolved organic matter (CDOM)

Accuracy Meets Interpretability for Computational Spectroscopy by Means of Hybrid and Double-Hybrid Functionals

Thionitroxyl Radical (H2NS) Isomers: Structures, Vibrational Spectroscopy, Electronic States and Photochemistry

Ab Initio Study of the Large Amplitude Motions of Various Monosubstituted Isotopologues of Methylamine (CH3-NH2)

Raman signatures of Cnm-positive Streptococcus mutans: II, Screening the virulence of clinical isolates

Protonation of apolar species: From Cl2H+ to (E)-NCCHCHCNH+ through computational investigations

Raman signatures of Cnm-positive Streptococcus mutans: III, Clinical validation