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Open AccessArticle

Excitation Energies in a Polarizable Environment: A Comparison of State-Averaged and Linear-Response CASSCF/AMOEBA Formulations

Tommaso Nottoli, Lorenzo Lapi, Giacomo Londi, Filippo Lipparini, Benedetta Mennucci

2026, 2(1): 10. doi: 10.53941/ps.2026.100010

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Open AccessArticle

The Influence of Sulphur on Anharmonic Features of Vibrational Circular Dichroism, on Electronic Circular Dichroism and on Optical Rotatory Dispersion: A Study of (R)-2-Chloromethyl-Oxirane, (R)-2-Methyl-Oxirane, (R)-2-Chloromethyl-Thiirane, and (R)-2-Methyl-Thiirane

Marco Fusè, Sergio Abbate, Giuseppe Mazzeo, Lorenzo Celio, Francesca Leonelli, Bruno Brunetti, Cecilia Cagliero, Carlo Bicchi, Stefano Stranges, Giovanna Longhi

2026, 2(1): 9. doi: 10.53941/ps.2026.100009

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A La Plata Journey through Frozen Molecules: Matrix Isolation Spectroscopy Studies

Rosana M. Romano, Carlos O. Della Védova

2026, 2(1): 8. doi: 10.53941/ps.2026.100008

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Does the Catalyst Always Assist the Methylene Blue Photodegradation or Does It Sometimes Hinder It?

Chiara Alessandrello, Zainab Dahrouch, Salvatore Maida, Moreno d'Ambrosio, Salvatore Patanè, Saveria Santangelo, Claudia Triolo

2026, 2(1): 7. doi: 10.53941/ps.2026.100007

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Combined Raman and X-ray Fluorescence Spectroscopy for Garnet Provenance in Longobard Fibulae

Martina Dalceggio, Elisa Possenti, Marco Zanatta, Angela Borzacconi, Andrea Lucotti, Stefano Gialanella

2026, 2(1): 6. doi: 10.53941/ps.2026.100006

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Defect-Engineering in MoS2 Layers for Surface Enhanced Raman Scattering

Antonio Brancato, Marcello Condorelli, Vittorio Scardaci, Enza Fazio, Giuseppe Forte, Luisa D'urso, Giuseppe Compagnini

2026, 2(1): 5. doi: 10.53941/ps.2026.100005

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Optical Characterization of 3D Bio-Hybrid Actuators

Guglielmo Lanzani, Cosimo D'Andrea, Chiara Bertarelli, Giuseppe Maria Paternò, Paola Moretti, Ludovico Aloisio, Samim Sardar, Giulia Simoncini, Ilaria Venturino, Andrea Pianetti

2026, 2(1): 4. doi: 10.53941/ps.2026.100004

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Tunable UV Photoexcitation of Carbon Atomic Wires: Investigating the Roles of Chain Length, Termination Groups, and Environment

Simone Melesi, Pietro Marabotti, Barbara Rossi, Valeria Russo, Andrea Li Bassi, Chiara Bertarelli, Carlo E. Bottani, Carlo S. Casari

2026, 2(1): 3. doi: 10.53941/ps.2026.100003

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A Portable Micro-SORS Prototype for Cultural Heritage: New Capabilities and Advantages

Alessandra Botteon, Alberto Lux, Chiara Colombo, Susanne Töpfer, Enrico Ferraris, Lavina Galli, Carlotta Beccaria, Kevin Ambrogioni, Matteo Passoni, Pavel Matousek, Antonio Sansonetti, Costanza Miliani, Claudia Conti

2026, 2(1): 2. doi: 10.53941/ps.2026.100002

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The Evolution of the IR and Raman Spectra When the Symmetry Reduces—The Case of the LaCoO3 Perovskite

Tarek Larbi, Klaus Doll, Michel Rerat, Roberto Dovesi

2026, 2(1): 1. doi: 10.53941/ps.2026.100001

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Open AccessArticle

Investigation of Dielectric Behavior, Diffuse Phase Transition, and Optical Band Gap in Polycrystalline KSr0.5Fe2O4 Ceramics

Mohamed Mounir, Ibtihel Soudani, Samia Aydi, Abderrazek Oueslati, Abdelhedi Aydi

2025, 1(1): 4. doi: 10.53941/ps.2025.100004

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Electron Bombardment of Amorphous Thione Ices—Thioacetamide as a Case Study

Sándor Góbi, Barbara Keresztes, György Tarczay

2025, 1(1): 3. doi: 10.53941/ps.2025.100003

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S2 Emission and Conformational Landscapes: System Specific Excited-State Photophysics in 1,2-Dicarbonyls

Pronab Kundu, K. N. Venkataravana, Nitin Chattopadhyay

2025, 1(1): 1. doi: 10.53941/ps.2025.100001

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