Publications

86 entries « 1 of 2 »

2019

Godey, François; Fleury, Alexandre; Soldera, Armand

Local dynamics within the glass transition domain Journal Article Forthcoming

Scientific Reports, Forthcoming.

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Essafri, I; Malfreyt, P; Breton, Le J C; A., Soldera A; Saint-Jalmes, A; Ghoufi, A

Contact angle and surface tension of water on a hexagonal boron nitride monolayer: A Methodological investigation Journal Article

Molecular Simulation, 45 (4-5), pp. 454-461, 2019.

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Boudriga, Sarra; Haddad, Saoussen; Askri, Moheddine; Soldera, Armand; Knorr, Michael; Strohmann, Carsten; Golz, Christopher

Highly diastereoselective construction of novel dispiropyrrolo[2,1-a]isoquinoline derivatives via multicomponent 1,3-dipolar cycloaddition of cyclic diketones-based isoquinolinium N-ylides Journal Article Forthcoming

RSC Advances, Forthcoming.

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Godey, François; Bensaïd, Mohamed O; Soldera, Armand

Extent of the Glass Transition in Polymers Envisioned by Computation of Mechanical Properties Journal Article

Polymer, 164 , pp. 33-38, 2019.

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2018

Marineau-Plante, Gabriel; Fortin, Daniel; Soldera, Armand; Harvey, Pierre D

Solid-Solid Phase Transitions in [trans-Pt(PMe3)2(C≡CC6H4R)2]-containing Materials (R = O(CH2)nH; n = 6, 9, 12, 15) Journal Article

Organometallics, 37 (15), pp. 2544–2552, 2018.

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Davory, X; Gellé, A; Lebreton, J-C; Tabuteau, H; Soldera, A; Szymczyk, A; Ghoufi, A

High Water Flux with Ions Sieving in a Desalination 2D Sub-Nanoporous Boron Nitride Material Journal Article

ACS Omega, 3 (6), pp. 6305–6310, 2018.

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Potier, J; Commarieu, B; Soldera, A; Claverie, J

Thermodynamic Control in the Catalytic Insertion Polymerization of Norbornenes as Rationale for the Lack of Reactivity of textitendo-Substituted Norbornenes Journal Article

ACS Catalysis, 8 , pp. 6047-6054, 2018.

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Soldera, A

Modélisation et simulation moléculaires de polymères Book Chapter

AF6042 v2 , Techniques de l'ingénieur, 2018.

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Shamloo, A; Fathi, B; Elkoun, S; Rodrigue, D; Soldera, A

Impact of Compression Molding Conditions on the Thermal and Mechanical Properties of Polyethylene Journal Article

J. Appl. Polym. Sci., 135 , pp. 46176, 2018.

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Godey, F; Fleury, A; Ghoufi, A; Soldera, A

The extent of the glass transition from molecular simulation revealing an overcrank effect Journal Article

J. Comput. Chem., 39 (5), pp. 255-261, 2018, (front cover of the February 2018 issue).

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Ocheje, M; Charron, B; Cheng, Y -H; Chuang, C -H; Soldera, A; Chiu, Y -C; Rondeau-Gagné, S

Amide-Containing Alkyl Chains in Conjugated Polymers: Effect on Self-Assembly and Electronic Properties Journal Article

Macromolecules, 51 (4), pp. 1336-1344, 2018.

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Marineau-Plante, G; Fortin, D; Soldera, A; Harvey, P D

Multiply “Trapped” 3[trans-Pt(PR3)2(C≡CC6H4X)2]* Conformers in Rigid Media Journal Article

Chem. Comm., 54 (8), pp. 976-979, 2018.

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2017

Bensaid, M O; Miloua, R; Ghalouci, L; Godey, F; Soldera, A

Multiscale design and optimization of polymer-based photonic crystals for solar shielding Journal Article

Solar Energy Materials and Solar Cells, 171 , pp. 166-179, 2017.

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Fleury, Soldera Godey A F A

La simulation atomistique de polymères amorphes. Application à la conception d’une membrane pour pile à combustible Journal Article

LÁctualite Chimique, 422-423 , pp. 115-121, 2017, (Invited article in the special issue on "Polymers".).

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Brochu, D; Abou-Rachid, H; Soldera, A; Brisson, J

Sensitivity of Polymer-Bonded Explosives from Molecular Modelling Data Journal Article

International Journal of Energetic Materials and Chemical Propulsion, 16 (4), pp. 367-382, 2017.

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Anousheh, N; Soldera, A

Influence of regio-irregular structures on thermal behaviour of PVDF Journal Article

Polymer, 125 , pp. 154-160, 2017.

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Dianati, V; 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 Journal Article

ChemMedChem, 12 (15), pp. 1169-1172, 2017.

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Porzio, François; Cuierrier, Etienne; Fleury, Alexandre; Améduri, Bruno; Soldera, Armand

Molecular Simulation of Fluorinated Telomer and Polymers Book Chapter

Améduri, Bruno; Sawada, Hideo (Ed.): Vol 1 - Fluorinated Polymers , Chapter 11, pp. 361-385, RSC Polymer Chemistry Series, 2017, ISBN: 978-1-78262-415-8.

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Porzio, F; Cuierrier, É; Wespiser, C; Tesson, S; Underhill, R S; Soldera, A

Mechanical equilibrium, a prerequisite to unveil auxetic properties in molecular compounds Journal Article

Molecular Simulation, 43 (3), pp. 169–175, 2017.

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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: A novel mechanism causing familial hypercholesterolemia Journal Article

Journal of Biological Chemistry, 292 (5), pp. 1573–1590, 2017.

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Anousheh, N; Godey, F; Soldera, A

Unveiling the impact of regioisomerism defects in the glass transition temperature of PVDF by the mean of the activation energy Journal Article

Journal of Polymer Science, Part A: Polymer Chemistry, 55 (3), pp. 419–426, 2017.

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2016

Fleury, A; Xu, Li; Soldera, A

Simulation of Small Molecules Permeation Through Polymer Matrix Journal Article

J. Mol. Eng. Mat., 4 (4), pp. 1640018, 2016, (Invited article in the special issue on Ädvanced Coating and Packaging".).

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Fleury, A; Godey, F; Laflamme, P; Ghoufi, A; Soldera, A

Is Fine-Grained Simulation Able to Propose New Polyelectrolyte Membranes? Journal Article

Fuel Cells, 16 (6), pp. 675–681, 2016.

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Metatla, N; Lafond, F; Jay-Gerin, J -P; Soldera, A

Heterogeneous character of supercritical water at 400 °c and different densities unveiled by simulation Journal Article

RSC Advances, 6 (36), pp. 30484–30487, 2016.

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Laventure, A; Grandpré, De G; 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 Journal Article

Physical Chemistry Chemical Physics, 18 (3), pp. 1681–1692, 2016.

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2015

Zhang, H; Marmin, T; Cuierrier, E; Soldera, A; Dory, Y; Zhao, Y

A new comonomer design for enhancing the pH-triggered LCST shift of thermosensitive polymers Journal Article

Polymer Chemistry, 6 (37), pp. 6644–6650, 2015, (Inside Cover page of the October 2015 issue).

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Haddad, S; Boudriga, S; Porzio, F; Soldera, A; Askri, M; Knorr, M; Rousselin, Y; Kubicki, M M; Golz, C; Strohmann, C

Regio- and Stereoselective Synthesis of Spiropyrrolizidines and Piperazines through Azomethine Ylide Cycloaddition Reaction Journal Article

Journal of Organic Chemistry, 80 (18), pp. 9064–9075, 2015.

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Haddad, S; Boudriga, S; Akhaja, T N; Raval, J P; Porzio, F; Soldera, A; Askri, M; Knorr, M; Rousselin, Y; Kubicki, M M; Rajani, D

A strategic approach to the synthesis of functionalized spirooxindole pyrrolidine derivatives: In vitro antibacterial, antifungal, antimalarial and antitubercular studies Journal Article

New Journal of Chemistry, 39 (1), pp. 520–528, 2015.

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2014

Soldera, Armand

Theoretical tools for designing microscopic to macroscopic properties of functional materials Book Chapter

Leclerc, Mario; Gauvin, Robert (Ed.): Functional Materials , Chapter 7, pp. 139-167, De Gruyter, 2014, ISBN: 978-3-11-030782-5.

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Soldera, Armand; Anousheh, Nasim; Porzio, François

Molecular Simulation of Fluoropolymers Book Chapter

Jr., Dennis Smith W; Iacono, Scott T; Iyer, Suresh S (Ed.): Handbook of Fluoropolymer , Chapter 6, pp. 105-130, Wiley, 2014, ISBN: 978-04-7-007993-5.

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Haddad, S; Boudriga, S; Porzio, F; Soldera, A; Askri, M; Sriram, D; Yogeeswari, P; Knorr, M; Rousselin, Y; Kubicki, M M

Synthesis of novel dispiropyrrolothiazoles by three-component 1,3-dipolar cycloaddition and evaluation of their antimycobacterial activity Journal Article

RSC Advances, 4 (103), pp. 59462–59471, 2014.

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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 Article

Journal of Membrane Science, 458 , pp. 236–244, 2014.

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Porzio, F; Levert, E; Vadnais, R; Soldera, A

New insights into the thermal stability of the smectic C phase Journal Article

Journal of Physical Chemistry B, 118 (14), pp. 4037–4043, 2014.

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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 Article

Journal of CO2 Utilization, 7 , pp. 46–50, 2014.

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Nguendia, J Z; Zhong, W; Fleury, A; Grandpré, De G; Soldera, A; Sabat, R G; Claverie, J P

Supramolecular complexes of multivalent cholesterol-containing polymers to solubilize carbon nanotubes in apolar organic solvents Journal Article

Chemistry - An Asian Journal, 9 (5), pp. 1356–1364, 2014, (Back cover of the May 2014 issue.).

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2013

Metatla, N; Palato, S; Soldera, A

Change in morphology of fuel cell membranes under shearing Journal Article

Soft Matter, 9 (46), pp. 11093–11097, 2013.

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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 Journal Article

New Journal of Chemistry, 37 (12), pp. 3881–3889, 2013, (front cover of the November 2013 issue).

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Lapprand, A; Dutartre, M; Khiri, N; Levert, E; Fortin, D; Rousselin, Y; Soldera, A; Jugé, S; Harvey, P D

Luminescent P-chirogenic copper clusters Journal Article

Inorganic Chemistry, 52 (14), pp. 7958–7967, 2013.

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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 Article

Journal of Molecular Liquids, 183 , pp. 59–63, 2013.

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Rondeau-Gagné, S; Néabo, J R; Desroches, M; Cantin, K; Soldera, A; Morin, J -F

The importance of the amide configuration in the gelation process and topochemical polymerization of phenylacetylene macrocycles Journal Article

Journal of Materials Chemistry C, 1 (15), pp. 2680–2687, 2013.

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Plante, A; Palato, S; Lebel, O; Soldera, A

Functionalization of molecular glasses: Effect on the glass transition temperature Journal Article

Journal of Materials Chemistry C, 1 (5), pp. 1037–1042, 2013.

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2012

Hamaide, T; Holl, Y; Fontaine, L; Six, J; Soldera, A

Teaching Polymer Chemistry: Revisiting the Syllabus Journal Article

Open. J. Polym. Chem., 2 (4), pp. 132-143, 2012.

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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 Journal Article

Tetrahedron, 68 (49), pp. 10130–10144, 2012.

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Soldera, A

Multi-scale approach for designing new ferroelectric liquid crystals with nonlinear optical properties Journal Article

Ferroelectrics, 431 (1), pp. 183–189, 2012.

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Porzio, F; Levert, E; Soldera, A

Molecular dynamics simulation of the SmC phase Journal Article

Ferroelectrics, 431 (1), pp. 121–128, 2012.

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Levert, E; Prozio, F; Beaudoin, M -A; 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 Journal Article

Ferroelectrics, 431 (1), pp. 32–39, 2012.

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Soldera, A

Atomistic simulations of vinyl polymers Journal Article

Molecular Simulation, 38 (8-9), pp. 762–771, 2012.

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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 Article

Journal of Membrane Science, 401-402 , pp. 56–60, 2012.

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Laflamme, P; Beaudoin, A; Chapaton, T; Spino, C; Soldera, A

Simulated infrared spectra of triflic acid during proton dissociation Journal Article

Journal of Computational Chemistry, 33 (12), pp. 1190–1196, 2012.

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Champagne, B; Guthmuller, J; Perreault, F; Soldera, A

Theoretical design of the molecular structure of bent-core mesogens with large second-order nonlinear optical properties. Journal Article

Journal of Physical Chemistry C, 116 (13), pp. 7552–7560, 2012.

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86 entries « 1 of 2 »