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Publications

Singh, S.K.*; Pantano, D.; Prebe, A.; Soldera, A. (2024). A comparative study of polyethylene oxide (PEO) using different coarse-graining methods. Journal of Chemical Physics 160 (22), 224904. (Article publié)

Larouche, A-P; Barray, F; Rochon, S; Hamel-Pâquet, J; Krachkovskiy, S; Faour, L; Dumaresq, N; Ebrahimi, S*; Soldera, A; Daigle, J-C. (2024). A method for deriving oligomers from sulfamide monomer and their application as electrolytes. Reactive and Functional Polymers 204 106051. (Article publié)

Beaumont, E*; Noroozi, A*; Fleury, A*; Vignaud, G; Meunier, M; Soldera, A. (2024). Exploring Glass Transition in Polyethylene via Molecular Dynamics: From Bulk to Isolated Chain. Polymer (Article soumis)

Hernandez, R O*; Champagne, B; Soldera, A. (2024). Simulating Vibronic Spectra by Direct Application of Doktorov 2 Formulas on a Superconducting Quantum Simulator. Journal of Physical Chemistry A 128 (21), 4369 - 4377. DOI. (Article publié)

Assomo, J.G.G.N.*; Ebrahimi, S.*; Jay-Gerin, J.-P.; Soldera, A. (2024). Supercritical Water: A Simulation Study to Unravel the Heterogeneity of Its Molecular Structures. Molecules 29 (12), 2947 (Article publié)

Ebrahimi, S*; Criqui, L; Gueguen, C; Soldera, A. (2024). Supervised machine learning to aidexperimentation in CCS prediction of water contaminants. Anal. Chem. J. (Article soumis)

Blanchette, S; Normandin, D; Pioro-Ladrière, M; St-Hilaire, L; Soldera, A; Thibault, K; Touchette, F. (2024). The Design and Implementation of a Quantum Information Science in Undergraduate Program. J. Phys. Educ. (Article soumis)

Ebrahimi, S*; Kumar Singh, S*; Rhazoui, A*; Letendart, C*; Daigle, JC; Benabed, T; Soldera, A. (2024). Thermo-Physical Characterization of [DBUH][FSI] as an Organic Ionic Plastic Crystal (OIPC). J. Phys. Chem. B (Article soumis)

Olarte, RH*; Champagne, B; Soldera, A. (2024). Vibronic Structure of the UV/visible Absorption Spectra of Phenol and Phenolate: A Hybrid DFT - Doktorov’s Quantum Algorithm Approach. J. Phys. Chem. B (Article soumis)

Minisini, B; Soldera, A*. Volumetric and Energetic Properties of Plystyrene and Polyethylene Oxide Affected by Thermal Cycling. Macromolecular Theory and Simulations. 2023

Fourmont, J; Minisini, B; Prébé, A; Pantano, P; Soldera, A. Charge Derivation Effects on Ionic Conductivity of G4-LiTFSI Electrolytes Using Molecular Dynamics Simulation. J. Mol. Model. 2023

Ndongo Assomo, JGG; Ebrahimi, S; Muroya, Y; Jay-Gerin, JP; Soldera, A. Molecular Dynamics Simulation Reveals a Change in the Structure of Liquid Water Near 150 °C, which May Explain Apparent Anomalies in High-Temperature Water Radiolysis. Chemistry Africa. 2023. 6(1): 375-381

Benayache, W; Benabina, MT; Soldera, A; Zerriouh, A. Theoreticaland experimental investigation of the compatibilization agent contribution tothe interactions of polymer blend (PP/LDPE): thermal, morphological, and DFTinsights. J. Mol. Liquids. 2023

Sanjeet, K; Pantano, D.; Prebe. A; Soldera, A. A Comparative Study of PEO Using Different Coarse-Graining Methods. Journal of Chemical Physics. 2023

Fourmont, J; Minisini, B; Prébé, A; Pantano, D; Soldera, A. Charge Derivation Effects on Ionic Conductivity of G4-LiTFSI Electrolytes Using Molecular Dynamics Simulation. PCCP. 2023

2022

Pai, AJ; Sarojini, BK; Harshitha, KR; Soldera, A. Environmentally Benign Blue Emissive Films from Host-Dopant Interaction of PLA–Bischalcone Combination with High UV Endurance. Journal of Polymers and the Environment. 2022. 30(1): 373-384

Tanner, K; Marineau-Plante, G; Schlachter, A; Karsenti, PL; Soldera, A; Harvey, PD. Significant Differences Between Solid State and Solution Photochemistry and Photophysics of Mesogenic Organometallic Gold Complexes. Can. J. Chemistry. 2022. 100(2): 150-161

Wespiser, C*; Putaud, T; Kalugina, Y.N; Soldera, A; Roy, PN; Michaut, X; Ayotte, P. Rotranslational dynamics of confined water: I-The confined asymmetric rotor model. Journal of Chemical Physics. 2022. 156(7): 074304

Chouchène, N; Toumi, A; Boudriga, S; Edziri, H; Sobeh, M; Abdelfattah, MAO; Askri, M; Knorr, M; Strohmann, C; Brieger, B; Soldera, A. Antimicrobial Activity and DFT Studies of a Novel Set of Spiropyrrolidines Tethered with Thiochroman-4-one/Chroman-4-one Scaffolds. Molecules. 2022. 27(3): 582

Gagnon, F; Tremblay, V; Soldera, A; Ocheje, MU; Rondeau-Gagné, S; Leclerc, M; Morin, J-F. 2, 9-Dibenzo [b, def] chrysene as a building block for organic electronics. Materials Advances. 2022. 3: 599-603

Ebrahimi, S*; Meunier, M; Soldera, A. Molecular dynamics simulation of the dynamical mechanical analysis of polybutadiene. Polymer Testing. 2022. 111: 107585

Dansereau, G., Legendre, P., Poisot, T. (2021 January). Évaluation du caractère unique des communautés écologiques sur des échelles spatiales étendues et continues. Conférence présentée au 11e symposium annuel du CSBQ, Montréal, QC, Canada

Dansereau, G., Poisot, T. (2021 January). SimpleSDMLayers.jl and GBIF.jl: A framework for species distribution modeling in Julia. Journal of Open Source Software, 6(57), 2872  doi.org/10.21105/joss.02872

Tanguy, L.; Fleury, A.; Paul‐Ludovic Karsenti; Brisard, G.; Soldera, A.; Harvey, P. D. Ultrafast Energy Transfer from Local Exciton to Intermolecular CT States in a Supramolecular Model of the Donor–Acceptor Interfaces. Journal of Physical Chemistry C 2020, 124 (30), 16248–16260  https://doi.org/10.1021/acs.jpcc.0c02381

Soldera, A. Regioisomerism Defects in PVDF: Impact on Structural Properties. 2020 doi.org/10.1016/b978-0-12-821966-9.00012-2

Yin, L.; Han, L.; Ge, F.; Tong, X.; Zhang, W.; Soldera, A.; Zhao, Y. A Novel Side‐Chain Liquid Crystal Elastomer Exhibiting Anomalous Reversible Shape Change. Angewandte Chemie 2020, 59 (35), 15129–15134   doi.org/10.1002/anie.202003904

Gilois, B.; Goujon, F.; Fleury, A.; Soldera, A.; Ghoufi, A. Water Nano-Diffusion through the Nafion Fuel Cell Membrane. Journal of Membrane Science 2020, 602, 117958. doi.org/10.1016/j.memsci.2020.117958

Afef Mabrouki; Malek Fouzai; Soldera, A.; A. Kriaa; A. Hedhli. Synthesis, Liquid Crystalline Behaviour and Structure–Property Relationships of 1,3-Bis(5-Substituted-1,3,4-Oxadiazol-2-Yl)Benzenes. Beilstein Journal of Organic Chemistry 2020, 16, 149–158   doi.org/10.3762/bjoc.16.17

Lebel, O.; Soldera, A. 9. Molecular Glasses: Emerging Materials for the next Generation. De Gruyter eBooks 2019, 239–260   doi.org/10.1515/9783110537734-009

François Godey; Fleury, A.; Soldera, A. Local Dynamics within the Glass Transition Domain. Scientific Reports 2019, 9 (1)  https://doi.org/10.1038/s41598-019-45933-2

François Godey; M.O. Bensaid; Soldera, A. Extent of the Glass Transition in Polymers Envisioned by Computation of Mechanical Properties. Polymer 2019, 164, 33–38  https://doi.org/10.1016/j.polymer.2019.01.001

Ilham Essafri; Jean-Christophe Le Breton; Arnaud Saint‐Jalmes; Soldera, A.; Szymczyk, A.; Malfreyt, P.; Aziz Ghoufi. Contact Angle and Surface Tension of Water on a Hexagonal Boron Nitride Monolayer: A Methodological Investigation. Molecular Simulation 2018, 45 (4-5), 454–461  https://doi.org/10.1080/08927022.2018.1502427

Marineau-Plante, G.; Fortin, D.; Soldera, A.; Harvey, P. D. Solid–Solid Phase Transitions in [Trans-Pt(PMe3)2(C≡CC6H4R)2]-Containing Materials (R = O(CH2)nH; N = 6, 9, 12, and 15). Organometallics 2018, 37 (15), 2544–2552  https://doi.org/10.1021/acs.organomet.8b00304

Davoy, X.; Alain Gellé; Lebreton, J.-C.; Hervé Tabuteau; Soldera, A.; Szymczyk, A.; Aziz Ghoufi. High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material. ACS omega 2018, 3 (6), 6305–6310  https://doi.org/10.1021/acsomega.8b01076

Potier, J.; Commarieu, B.; Soldera, A.; Claverie, J. P. Thermodynamic Control in the Catalytic Insertion Polymerization of Norbornenes as Rationale for the Lack of Reactivity of Endo-Substituted Norbornenes. ACS Catalysis 2018, 8 (7), 6047–6054  https://doi.org/10.1021/acscatal.8b00393

Marineau-Plante, G.; Juvenal, F.; Langlois, A.; Fortin, D.; Soldera, A.; Harvey, P. D. Multiply “Trapped” 3[Trans-Pt(PR3)2(CCC6H4X)2]* Conformers in Rigid Media. Chemical Communications 2018, 54 (8), 976–979  https://doi.org/10.1039/c7cc09503a

Ocheje, M. U.; Brynn Petras Charron; Cheng, Y.; Chuang, C.-H.; Soldera, A.; Chiu, Y.; Rondeau‐Gagné, S. Amide-Containing Alkyl Chains in Conjugated Polymers: Effect on Self-Assembly and Electronic Properties. Macromolecules 2018, 51 (4), 1336–1344  https://doi.org/10.1021/acs.macromol.7b02393

Shamloo, A.; Fathi, B.; Elkoun, S.; Rodrigue, D.; Soldera, A. Impact of Compression Molding Conditions on the Thermal and Mechanical Properties of Polyethylene. Journal of Applied Polymer Science 2017, 135 (15), 46176   doi.org/10.1002/app.46176

François Godey; Fleury, A.; Aziz Ghoufi; Soldera, A. The Extent of the Glass Transition from Molecular Simulation Revealing an Overcrank Effect. Journal of Computational Chemistry 2017, 39 (5), 255–261   doi.org/10.1002/jcc.25069

Bensaid, M. O.; Miloua, R.; Ghalouci, L.; Godey, F.; Soldera, A. Multiscale Design and Optimization of Polymer-Based Photonic Crystals for Solar Shielding. Solar Energy Materials and Solar Cells 2017, 171, 166–179  https://doi.org/10.1016/j.solmat.2017.06.016

Nasim Anousheh; Soldera, A. Influence of Regio-Irregular Structures on Thermal Behaviour of PVDF. Polymer 2017, 125, 154–160  https://doi.org/10.1016/j.polymer.2017.07.084

Vahid Dianati; Shamloo, A.; Kwiatkowska, A.; Desjardins, R.; Soldera, A.; Day, R.; Dory, Y. L. Rational Design of a Highly Potent and Selective Peptide Inhibitor of PACE4 by Salt Bridge Interaction with D160 at Position P3. ChemMedChem 2017, 12 (15), 1169–1172  https://doi.org/10.1002/cmdc.201700300

Susan-Resiga, D.; Girard, E.; Kiss, R. S.; Essalmani, R.; Hamelin, J.; Asselin, M.-C.; Awan, Z.; Butkinaree, C.; Fleury, A.; Soldera, A.; Dory, Y. L.; Baass, A.; Seidah, N. G. The Proprotein Convertase Subtilisin/Kexin Type 9-Resistant R410S Low Density Lipoprotein Receptor Mutation. Journal of Biological Chemistry 2017, 292 (5), 1573–1590  https://doi.org/10.1074/jbc.m116.769430

Porzio, F.; Étienne Cuierrier; Clément Wespiser; Tesson, S.; Underhill, R. S.; Soldera, A. Mechanical Equilibrium, a Prerequisite to Unveil Auxetic Properties in Molecular Compounds. Molecular Simulation 2016, 43 (3), 169–175  https://doi.org/10.1080/08927022.2016.1241397

Nasim Anousheh; François Godey; Soldera, A. Unveiling the Impact of Regioisomerism Defects in the Glass Transition Temperature of PVDF by the Mean of the Activation Energy. Journal of Polymer Science Part A 2016, 55 (3), 419–426  https://doi.org/10.1002/pola.28407

Fleury, A.; Xu, L.; Soldera, A. Simulation of Small Molecules Permeation through Polymer Matrix. Journal of Molecular and Engineering Materials 2016  doi.org/10.1142/s2251237316400189

Fleury, A.; François Godey; Laflamme, P.; Aziz Ghoufi; Soldera, A. Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes? Fuel Cells 2016, 16 (6), 675–681  https://doi.org/10.1002/fuce.201600002

Noureddine Metatla; Lafond, F.; Jean‐Paul Jay‐Gerin; Soldera, A. Heterogeneous Character of Supercritical Water at 400 °c and Different Densities Unveiled by Simulation. RSC Advances 2016, 6 (36), 30484–30487  https://doi.org/10.1039/c5ra25067f

Laventure, A.; Guillaume De Grandpré; Soldera, A.; Lebel, O.; Pellerin, C. Unraveling the Interplay between Hydrogen Bonding and Rotational Energy Barrier to Fine-Tune the Properties of Triazine Molecular Glasses. 2016, 18 (3), 1681–1692  https://doi.org/10.1039/c5cp06630a

Zhang, H.; Marmin, T.; Étienne Cuierrier; Soldera, A.; Dory, Y. L.; Zhao, Y. A New Comonomer Design for Enhancing the PH-Triggered LCST Shift of Thermosensitive Polymers. Polymer Chemistry 2015, 6 (37), 6644–6650  https://doi.org/10.1039/c5py01126d

Haddad, S.; Sarra Boudriga; Tarunkumar Nanjibhai Akhaja; Raval, J. P.; Porzio, F.; Soldera, A.; Moheddine Askri; Knorr, M.; Yoann Rousselin; Kubicki, M.; Rajani, D. P. A Strategic Approach to the Synthesis of Functionalized Spirooxindole Pyrrolidine Derivatives: In Vitro Antibacterial, Antifungal, Antimalarial and Antitubercular Studies. 2015, 39 (1), 520–528  https://doi.org/10.1039/c4nj01008f

Haddad, S.; Sarra Boudriga; Porzio, F.; Soldera, A.; Moheddine Askri; Sriram, D.; Perumal Yogeeswari; Knorr, M.; Yoann Rousselin; Kubicki, M. M. Synthesis of Novel Dispiropyrrolothiazoles by Three-Component 1,3-Dipolar Cycloaddition and Evaluation of Their Antimycobacterial Activity. RSC Advances 2014, 4 (103), 59462–59471  https://doi.org/10.1039/c4ra11940a

Ding, M.; Szymczyk, A.; Goujon, F.; Soldera, A.; Ghoufi, A. Structure and Dynamics of Water Confined in a Polyamide Reverse-Osmosis Membrane: A Molecular-Simulation Study. Journal of Membrane Science 2014, 458, 236–244  https://doi.org/10.1016/j.memsci.2014.01.054

Porzio, F.; Levert, E.; Vadnais, R.; Soldera, A. New Insights into the Thermal Stability of the Smectic c Phase. Journal of Physical Chemistry B 2014, 118 (14), 4037–4043 doi.org/10.1021/jp5011605

Lacroix, J. F.; Soldera, A.; Lavoie, J. M. A Thermodynamic Resolution of Dimethyl Carbonate Decarboxylation and the First Example of Its Reversibility: Dimethyl Ether Carboxylation. Journal of CO2 Utilization 2014, 7, 46–50  https://doi.org/10.1016/j.jcou.2014.04.001

Jules Zeuna Nguendia; Zhong, W.; Fleury, A.; Guillaume De Grandpré; Soldera, A.; Ribal Georges Sabat; Claverie, J. P. Supramolecular Complexes of Multivalent Cholesterol-Containing Polymers to Solubilize Carbon Nanotubes in Apolar Organic Solvents. Chemistry-An Asian Journal 2014, 9 (5), 1356–1364  https://doi.org/10.1002/asia.201301687

Noureddine Metatla; Palato, S.; Soldera, A. Change in Morphology of Fuel Cell Membranes under Shearing. Soft Matter 2013, 9 (46), 11093–11093  https://doi.org/10.1039/c3sm52247d

Laventure, A.; Soldera, A.; Pellerin, C.; Lebel, O. Heads vs. Tails: A Double-Sided Study of the Influence of Substituents on the Glass-Forming Ability and Stability of Aminotriazine Molecular Glasses. New Journal of Chemistry 2013, 37 (12), 3881–3881  https://doi.org/10.1039/c3nj00709j

Lapprand, A.; Dutartre, M.; Khiri, N.; Levert, E.; Fortin, D.; Rousselin, Y.; Soldera, A.; Jugé, S.; Harvey, P. D. Luminescent P-Chirogenic Copper Clusters. Inorganic Chemistry 2013, 52 (14), 7958–7967  https://doi.org/10.1021/ic400498j

Levert, E.; Lacelle, S.; Zysman‐Colman, E.; Soldera, A. Influence of Molecular Structure on Phase Transitions in Liquid Crystal Binary Mixtures: The Role of the Orientation of the Central Ester. Journal of Molecular Liquids 2013, 183, 59–63  https://doi.org/10.1016/j.molliq.2013.04.014

Rondeau‐Gagné, S.; Jules Roméo Néabo; Desroches, M.; Cantin, K.; Soldera, A.; Morin, J. The Importance of the Amide Configuration in the Gelation Process and Topochemical Polymerization of Phenylacetylene Macrocycles. Journal of Materials Chemistry C 2013, 1 (15), 2680–2680  https://doi.org/10.1039/c3tc00917c

Plante, A.; Palato, S.; Lebel, O.; Soldera, A. Functionalization of Molecular Glasses: Effect on the Glass Transition Temperature. Journal of Materials Chemistry C 2013, 1 (5), 1037–1042  https://doi.org/10.1039/c2tc00467d

Hamaide, T.; Holl, Y.; Fontaine, L.; Six, J.-L.; Soldera, A. Teaching Polymer Chemistry: Revisiting the Syllabus. Open Journal of Polymer Chemistry 2012, 02 (04), 132–143   doi.org/10.4236/ojpchem.2012.24018

Eren, R. N.; Plante, A.; Meunier, A.; Laventure, A.; Huang, Y.; Briard, J. G.; Creber, K. J.; Pellerin, C.; Soldera, A.; Lebel, O. One Ring to Rule Them All: Effect of Aryl Substitution on Glass-Forming Ability in Mexylaminotriazine Molecular Glasses. Tetrahedron 2012, 68 (49), 10130–10144  https://doi.org/10.1016/j.tet.2012.09.103

Soldera, A. Multi-Scale Approach for Designing New Ferroelectric Liquid Crystals with Nonlinear Optical Properties. Ferroelectrics 2012, 431 (1), 183–189  https://doi.org/10.1080/00150193.2012.684991

Porzio, F.; Levert, E.; Soldera, A. Molecular Dynamics Simulation of the SmC Phase. Ferroelectrics 2012, 431 (1), 121–128  https://doi.org/10.1080/00150193.2012.684972

Levert, E.; François Prozio; Beaudoin, M.; Zysman‐Colman, E.; Soldera, A. Investigation of the Relationship between the Molecular Structure and the Thermal Stabilization of the Smectic c Phase in Four Series of Calamitic Smectogens. Ferroelectrics 2012, 431 (1), 32–39  https://doi.org/10.1080/00150193.2012.684613

Soldera, A. Atomistic Simulations of Vinyl Polymers. Molecular Simulation 2012, 38 (8-9), 762–771   doi.org/10.1080/08927022.2012.677536

Laflamme, P.; Beaudoin, A.; Chapaton, T.; Spino, C.; Soldera, A. Molecular Modeling Assisted Design of New Monomers Utilized in Fuel Cell Proton Exchange Membranes. Journal of Membrane Science 2012, 401-402, 56–60  https://doi.org/10.1016/j.memsci.2012.01.027

Laflamme, P.; Beaudoin, A.; Chapaton, T.; Spino, C.; Soldera, A. Simulated Infrared Spectra of Triflic Acid during Proton Dissociation. Journal of Computational Chemistry 2012, 33 (12), 1190–1196   doi.org/10.1002/jcc.22950

Champagne, B.; Julien Guthmuller; Perreault, F.; Soldera, A. Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties. Journal of Physical Chemistry C 2012, 116 (13), 7552–7560  https://doi.org/10.1021/jp300072k

Laflamme, P.; Porzio, F.; Améduri, B.; Soldera, A. Characterization of the Telomerization Reaction Path for Vinylidene Fluoride with ĊCl3Radicals. Polymer Chemistry 2012, 3 (3), 652–657  https://doi.org/10.1039/c1py00467k

Noureddine Metatla; Palato, S.; Basile Commarieu; Claverie, J. P.; Soldera, A. Melting of Polymernanocrystals: A Comparison between Experiments and Simulation. Soft Matter 2012, 8 (2), 347–352  https://doi.org/10.1039/c1sm06446k

Metatla, N.; Soldera, A. Effect of the Molar Volume on the Elastic Properties of Vinylic Polymers: A Static Molecular Modeling Approach. Macromolecular Theory and Simulations 2011, 20 (4), 266–274  https://doi.org/10.1002/mats.201000088

Rondeau-Gagné, S.; Lafleur-Lambert, A.; Soldera, A.; Morin, J.-F. Ethynyl-Bridged Fullerene Derivatives: Effect of the Secondary Group on Electronic Properties. New Journal of Chemistry 2011, 35 (4), 942  https://doi.org/10.1039/c1nj20011a

Palato, S.; Noureddine Metatla; Soldera, A. Temperature Behavior of the Kohlrausch Exponent for a Series of Vinylic Polymers Modelled by an All-Atomistic Approach. European Physical Journal E 2011, 34 (9)  https://doi.org/10.1140/epje/i2011-11090-y

Lafleur-Lambert, A.; Rondeau‐Gagné, S.; Soldera, A.; Morin, J. Synthesis and Characterization of a New Ethynyl-Bridged C60 Derivative Bearing a Diketopyrrolopyrrole Moiety. Tetrahedron Letters 2011, 52 (39), 5008–5011  https://doi.org/10.1016/j.tetlet.2011.07.029

Soldera, A.; Noureddine Metatla; Beaudoin, A.; S. Saïd; Yves Grohens. Heat Capacities of Both PMMA Stereomers: Comparison between Atomistic Simulation and Experimental Data. Polymer 2010, 51 (9), 2106–2111  https://doi.org/10.1016/j.polymer.2010.03.003

Soldera, A.; Qi, Y.; Capehart, W. Phase Transition and Morphology of Polydispersed ABA′ Triblock Copolymers Determined by Continuous and Discrete Simulations. Journal of Chemical Physics 2009, 130 (6)  https://doi.org/10.1063/1.3071194

Vadnais, R.; Beaudoin, M.; Soldera, A. Study of the Influence of Ester Orientation on the Thermal Stability of the Smectic c Phase: Simulation Investigation. Journal of Chemical Physics 2008, 129 (16)  https://doi.org/10.1063/1.3001917

Vadnais, R.; Beaudoin, M.; Beaudoin, A.; Heinrich, B.; Soldera, A. Study of the Influence of Ester Orientation on the Thermal Stability of the Smectic c Phase: Experimental Investigation. Liquid Crystals 2008, 35 (3), 357–364  https://doi.org/10.1080/02678290701851689

Soldera, A.; Perreault, F.; ChampagneB. Multi-Scale Approach to the Design of Ferroelectric Liquid Crystals for NLO Applications. Nucleation and Atmospheric Aerosols 2008  doi.org/10.1063/1.2997314

Perreault, F.; ChampagneB.; Soldera, A. Theoretical Design of Sulfinate-Based Ferroelectric Liquid Crystals Displaying Second-Order Nonlinear Optical Properties. Chemical Physics Letters 2007, 440 (1-3), 116–120  https://doi.org/10.1016/j.cplett.2007.04.026

Metatla, N.; Soldera, A. Computation of Densities, Bulk Moduli and Glass Transition Temperatures of Vinylic Polymers from Atomistic Simulation. Molecular Simulation 2006, 32 (14), 1187–1193  https://doi.org/10.1080/08927020601059901

Soldera, A.; Metatla, N. Glass Transition of Polymers: Atomistic Simulation versus Experiments. Physical Review E 2006, 74 (6)  https://doi.org/10.1103/physreve.74.061803

Perreault, F.; Beaudoin, M.; Fortin, D.; Soldera, A. Crystal Structure of Liquid-Crystalline Compounds Possessing a 1,4-Diaryl-1-Buten-3-Yne Rigid Core. Molecular Crystals and Liquid Crystals 2006, 460 (1), 3–15  https://doi.org/10.1080/15421400600553854

Cugnet, C.; Lucas, D.; Frédéric Lemaître; Collange, E.; Soldera, A.; Yves Mugnier; Harvey, P. D. Unexpected Reaction of the Unsaturated Cluster Host and Catalyst [Pd3(μ3-CO)(Dppm)3]2+ with the Hydroxide Ion: Spectroscopic and Kinetic Evidence of an Inner-Sphere Mechanism. Chemistry: A European Journal 2006, 12 (32), 8386–8395  https://doi.org/10.1002/chem.200600395

Tong, X.; Wang, G.; and Armand Soldera; Zhao, Y. How Can Azobenzene Block Copolymer Vesicles Be Dissociated and Reformed by Light? Journal of Physical Chemistry B 2005, 109 (43), 20281–20287  https://doi.org/10.1021/jp0524274

Soldera, A.; Beaudoin, M.; O’Brien, G.; Lessard, J. Liquid Crystal Molecules with an Enyne Rigid Core. Liquid Crystals 2005, 32 (10), 1223–1231  https://doi.org/10.1080/02678290500329499

Soldera, A.; Noureddine Metatla. Glass Transition Phenomena Observed in Stereoregular PMMAs Using Molecular Modeling. Composites Part A: Applied Science and Manufacturing 2005, 36 (4), 521–530  https://doi.org/10.1016/j.compositesa.2004.10.019

Soldera, A.; Yves Grohens. Cooperativity in Stereoregular PMMAs Observed by Molecular Simulation. Polymer 2004, 45 (4), 1307–1311  https://doi.org/10.1016/j.polymer.2003.04.003

Soldera, A.; ThÉberge, R. Towards a New Class of Ferroelectric Liquid Crystal Molecules for Nonlinear Optical Applications. Liquid Crystals 2003, 30 (10), 1251–1254  https://doi.org/10.1080/02678290310001602012

Soldera, A.; Monterrat, E. Mid-Infrared Optical Properties of a Polymer Film: Comparison between Classical Molecular Simulations, Spectrometry, and Ellipsometry Techniques. Polymer 2002, 43 (22), 6027–6035  https://doi.org/10.1016/s0032-3861(02)00467-6

Soldera, A.; Yves Grohens. Molecular Modeling of the Glass Transition of Stereoregular PMMAs. Polymer-plastics Technology and Engineering 2002  doi.org/10.1081/ppt-120004368

Soldera, A. Energetic Analysis of the Two PMMA Chain Tacticities and PMA through Molecular Dynamics Simulations. Polymer 2002, 43 (15), 4269–4275  https://doi.org/10.1016/s0032-3861(02)00240-9

Yves Grohens; Hamon, L.; Reiter, G.; Soldera, A.; Holl, Y. Some Relevant Parameters Affecting the Glass Transition of Supported Ultra-Thin Polymer Films. The European Physical Journal E 2002, 8 (2), 217–224  https://doi.org/10.1140/epje/i2001-10088-4

Soldera, A.; Yves Grohens. Local Dynamics of Stereoregular PMMAs Using Molecular Simulation. Macromolecules 2001, 35 (3), 722–726  https://doi.org/10.1021/ma011370q

Madkour, T. M.; Soldera, A. Tacticity Induced Molecular Microstructure Dependence of the Configurational Properties of Metallocene-Synthesized Polypropylenes. European Polymer Journal 2001, 37 (6), 1105–1113  https://doi.org/10.1016/s0014-3057(00)00227-5

Tabrizian, M.; Soldera, A.; Couturier, M.; C. Géraldine Bazuin. Pyridinium Salt Liquid Crystals Effect of Mesogen Extension and Alkyl Chain Length. Liquid Crystals 1995, 18 (3), 475–482  https://doi.org/10.1080/02678299508036647