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Employment (2)

Universidade Federal Fluminense: Niteroi, RJ, BR

2013-08-08 to present | Associate Professor (Physical Chemistry)
Employment
Source: Self-asserted source
Costa LT

Universidade Federal de Alfenas: Alfenas, MG, BR

2009-08-01 to 2013-08-01
Employment
Source: Self-asserted source
Costa LT

Education and qualifications (2)

University of Sao Paulo: São Paulo, Sao Paulo, BR

2003-08-01 to 2007-08-18 | Ph.D (Fundamental Chemistry)
Education
Source: Self-asserted source
Costa LT

Universidade Federal da Bahia: Salvador, BA, BR

2001-08-01 to 2003-06-20 | Master (Chemical Engineering)
Education
Source: Self-asserted source
Costa LT

Works (50 of 66)

Items per page:
Page 1 of 2

Theoretical Systematic investigation as a Strategic Tool for the design of more efficient pure and doped MoS<sub>2</sub> catalysts for CO<sub>2</sub> Electroreduction

Chemical Physics
2025 | Journal article
Contributors: Vaiss, Viviane S.; Costa, Luciano T.
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A theoretical study on radical scavenging activity of phenolic derivatives naturally found within <i>Alternaria alternata</i> extract

Organic & Biomolecular Chemistry
2024 | Journal article
Contributors: Abraham, Alen Binu; Panneerselvam, Murugesan; Ebenezer, Cheriyan; Costa, Luciano T.; Solomon, Rajadurai Vijay
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An Insight Into Experimental and Theoretical Investigation of Structure, Photophysical Property by ESIPT Processes and Biological Activities of Schiff Base Copper Complex

Applied Organometallic Chemistry
2024 | Journal article
Contributors: Rama, Iravatham; Nathiya, Singaravel; Panneerselvam, Murugesan; Subashini, Annamalai; Costa, Luciano T.; Jeeva, Gothandam; Achiraman, Shanmugam; Dhinesh, Kumar
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Computational Study on the Proton Reduction Potential of Co, Rh, and Ir Molecular Electrocatalysts for the Hydrogen Evolution Reaction

ACS Omega
2024 | Journal article
Contributors: Panneerselvam, Murugesan; Jaccob, Madhavan; Costa, Luciano T.
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Insights into rare earth element speciation: unraveling sulfate and hydrolysis complexes through DFT calculations

Journal of Molecular Modeling
2024 | Journal article
Contributors: Bertoli, Alexandre C.; Novaes, Pedro A. A.; Costa, Luciano T.; De Almeida, Wagner B.; Duarte, Helio A.
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Investigating CO<sub>2</sub> electro-reduction mechanisms: DFT insight into earth-abundant Mn diimine catalysts for CO<sub>2</sub> conversions over hydrogen evolution reaction, feasibility, and selectivity considerations

Frontiers of Chemical Science and Engineering
2024 | Journal article
Contributors: Panneerselvam, Murugesan; Albuquerque, Marcelo; Segtovich, Iuri Soter Viana; Tavares, Frederico W.; Costa, Luciano T.
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Parallel Plate Capacitor Model at the Nanoscale for Stable and Gigantic SERS Activity of the 4-MBA@R-AuNP-4-MBA@R-AuNP System

ACS Omega
2024 | Journal article
Contributors: Ghosh, Amar; Panneerselvam, Murugesan; Mondal, Sourav; Das, Prasanta; Singha, Tukai; Rana, Subhasis; Costa, Luciano T.; Satpati, Biswarup; Das, Suman; Sur, Ujjal Kumar et al.
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Phosphonium-based ionic liquids for separating H<sub>2</sub>S and CO<sub>2</sub> from natural gas: insights from molecular dynamics simulation

Results in Engineering
2024 | Journal article
Contributors: Yahaya, Umar Muhammad; Haghani, Hossein; Xia, Jun; Costa, Luciano T.; Sema, Teerawat
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Unveiling the influence of oxidation state and heavy atom effects in chalcogen group on boron centered D(X)BNA core: a computational study on RTP <i>versus</i> TADF

Molecular Systems Design & Engineering
2024 | Journal article
Contributors: Mahaan, Ramalingam; Panneerselvam, Murugesan; Costa, Luciano T.; Bosco, Aruljothy John
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Strain induced electrochemical behaviors of ionic liquid electrolytes in an electrochemical double layer capacitor: Insights from molecular dynamics simulations

The Journal of Chemical Physics
2023 | Journal article
Contributors: Roy, Tribeni; Goel, Saurav; Costa, Luciano T.; Titirici, Maria-Magdalena; Offer, Gregory J.; Marinescu, Monica; Wang, Huizhi
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Polymer-ion interactions in PVDF@ionic liquid polymer electrolytes: A combined experimental and computational study

Electrochimica Acta
2022 | Journal article
EID:

2-s2.0-85134886621

Part of ISSN: 00134686
Contributors: Silva, F.C.A.; Ortega, P.F.R.; dos Reis, R.A.; Lavall, R.L.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts

Journal of Molecular Modeling
2022 | Journal article
EID:

2-s2.0-85135228721

Part of ISSN: 09485023 16102940
Contributors: de Albuquerque, A.C.F.; Corrêa, G.S.; Albuquerque, G.T.; Costa, F.L.P.; Costa, L.T.; Lage, M.R.; de M. Carneiro, J.W.; dos S. Junior, F.M.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Zn-doping and oxygen vacancy effects on the reactivity and properties of monoclinic and tetragonal ZrO<sub>2</sub>: a DFT study

Journal of Molecular Modeling
2022 | Journal article
EID:

2-s2.0-85139786499

Part of ISSN: 09485023 16102940
Contributors: Mancera, R.R.C.; Vaiss, V.S.; Espino, O.E.E.; de Avillez, R.R.; Appel, L.G.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

A molecular dynamics study of a fully zwitterionic copolymer/ionic liquid-based electrolyte: Li<sup>+</sup> transport mechanisms and ionic interactions

Journal of Computational Chemistry
2021 | Journal article
EID:

2-s2.0-85107830858

Part of ISSN: 1096987X 01928651
Contributors: C. Lourenço, T.; Ebadi, M.; J. Panzer, M.; Brandell, D.; T. Costa, L.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

CO<sub>2</sub>and H<sub>2</sub>adsorption on 3D nitrogen-doped porous graphene: Experimental and theoretical studies

Journal of CO2 Utilization
2021 | Journal article
EID:

2-s2.0-85103999254

Part of ISSN: 22129820
Contributors: Dos Santos, T.C.; Mancera, R.C.; Rocha, M.V.J.; Da Silva, A.F.M.; Furtado, I.O.; Barreto, J.; Stavale, F.; Archanjo, B.S.; De Carneiro, J.W.M.; Costa, L.T. et al.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Combined theoretical and experimental studies on CO<sub>2</sub> capture by amine-activated glycerol

Chemical Engineering Journal
2021 | Journal article
EID:

2-s2.0-85097634868

Part of ISSN: 13858947
Contributors: Furtado, I.O.; dos Santos, T.C.; Vasconcelos, L.F.; Costa, L.T.; Fiorot, R.G.; Ronconi, C.M.; Carneiro, J.W.D.M.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Dielectric behavior of water in [bmim] [Tf <sub>2</sub> N] room-temperature ionic liquid: molecular dynamic study

Theoretical Chemistry Accounts
2021 | Journal article
EID:

2-s2.0-85112388798

Part of ISSN: 14322234 1432881X
Contributors: Fuentes-Azcatl, R.; Araujo, G.J.C.; Lourenço, T.C.; Costa, C.T.O.G.; Carneiro, J.W.M.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Dielectric Behavior Of Water In [bmim] [Tf2N] Room-Temperature Ionic Liquid, Molecular Dynamic Study.

ResearchSquare
2021 | Other
EID:

2-s2.0-85145792543

Contributors: Fuentes-Azcatl, R.; Araujo, G.J.C.; Lourenço, T.C.; Costa, C.T.O.G.; de Carneiro, J.W.M.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Dielectric behavior of water in [bmim] [Tf<sub>2</sub>N] room-temperature ionic liquid, molecular dynamic study

arXiv
2021 | Other
EID:

2-s2.0-85106097018

Part of ISSN: 23318422
Contributors: Fuentes-Azcatl, R.; Araujo, G.J.C.; Lourenço, T.C.; Costa, C.T.O.G.; Carneiro, J.W.D.M.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Erratum: Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study (J. Phys. Chem. B (2020) 124:43 (9648-9657) DOI: 10.1021/acs.jpcb.0c06500)

Journal of Physical Chemistry B
2021 | Journal article
EID:

2-s2.0-85118226385

Part of ISSN: 15205207 15206106
Contributors: Lourenço, T.C.; Ebadi, M.; Brandell, D.; Da Silva, J.L.F.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Potential colchicine binding site inhibitors unraveled by virtual screening, molecular dynamics and MM/PBSA

Computers in Biology and Medicine
2021 | Journal article
EID:

2-s2.0-85114121338

Part of ISSN: 18790534 00104825
Contributors: Federico, L.B.; Silva, G.M.; Gomes, S.Q.; Francischini, I.A.G.; Barcelos, M.P.; dos Santos, C.B.R.; Costa, L.T.; Campos Rosa, J.M.; de Paula da Silva, C.H.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Repurposing approved drugs as inhibitors of SARS-CoV-2 S-protein from molecular modeling and virtual screening

Journal of Biomolecular Structure and Dynamics
2021 | Journal article
EID:

2-s2.0-85086778772

Part of ISSN: 15380254 07391102
Contributors: de Oliveira, O.V.; Rocha, G.B.; Paluch, A.S.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

The structure of CO<sub>2</sub> and CH<sub>4</sub> at the interface of a poly(urethane urea) oligomer model from the microscopic point of view

Journal of Chemical Physics
2021 | Journal article
EID:

2-s2.0-85111294416

Part of ISSN: 10897690 00219606
Contributors: Assis Silva, F.C.; da Costa Lourenço, T.; van der Spoel, D.; Aparicio, S.; Azevedo dos Reis, R.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

The structure of dichlorotris(triphenylphosphine)ruthenium(II): a DFT study of interaction energies and substitution mechanism

Molecular Simulation
2021 | Journal article
EID:

2-s2.0-85102446003

Part of ISSN: 10290435 08927022
Contributors: de Sousa, J.A.; de Oliveira, M.L.A.; Lima, F.D.C.A.; Silva Sá, J.L.; Lima Neto, B.D.S.; Costa, L.T.; Carneiro, J.W.D.M.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Thermodynamic and structural description of relative solubility of the flavonoid rutin by DFT calculations and molecular dynamics simulations

Journal of Molecular Liquids
2021 | Journal article
EID:

2-s2.0-85118771389

Part of ISSN: 01677322
Contributors: Da Silva, H.C.; Paluch, A.S.; Costa, L.T.; De Almeida, W.B.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Understanding carbon dioxide capture on metal-organic frameworks from first-principles theory: The case of MIL-53(X), with X = Fe<sup>3+</sup>, Al<sup>3+</sup>, and Cu<sup>2+</sup>

Journal of Chemical Physics
2021 | Journal article
EID:

2-s2.0-85109792866

Part of ISSN: 10897690 00219606
Contributors: Damas, G.B.; Costa, L.T.; Ahuja, R.; Araujo, C.M.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

“Molecular insights into the production of few-layer graphene in N-Cyclohexylpyrrolidone + water mixtures”

Carbon
2021 | Journal article
EID:

2-s2.0-85091936319

Part of ISSN: 00086223
Contributors: Nascimento, J.P.; Serodre, T.; Santos, J.C.C.; Paulinelli, L.R.; Santos, A.P.; Aparício, S.; Costa, L.T.; Furtado, C.A.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

A potential for molecular simulation of compounds with linear moieties

Journal of Chemical Physics
2020 | Journal article
EID:

2-s2.0-85090178956

Part of ISSN: 10897690 00219606
Contributors: Van Der Spoel, D.; Henschel, H.; Van Maaren, P.J.; Ghahremanpour, M.M.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Identification of novel αβ-tubulin modulators with antiproliferative activity directed to cancer therapy using ligand and structure-based virtual screening

International Journal of Biological Macromolecules
2020 | Journal article
EID:

2-s2.0-85094815332

Part of ISSN: 18790003 01418130
Contributors: Federico, L.B.; Silva, G.M.; de Fraga Dias, A.; Figueiró, F.; Battastini, A.M.O.; dos Santos, C.B.R.; Costa, L.T.; Rosa, J.M.C.; de Paula da Silva, C.H.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Interfacial structures in ionic liquid-based ternary electrolytes for lithium-metal batteries: A molecular dynamics study

Journal of Physical Chemistry B
2020 | Journal article
EID:

2-s2.0-85094933186

Part of ISSN: 15205207 15206106
Contributors: Lourenco, T.C.; Ebadi, M.; Brandell, D.; da Silva, J.L.F.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Restricted Ion Transport by Plasticizing Side Chains in Polycarbonate-Based Solid Electrolytes

Macromolecules
2020 | Journal article
EID:

2-s2.0-85079041951

Part of ISSN: 15205835 00249297
Contributors: Ebadi, M.; Eriksson, T.; Mandal, P.; Costa, L.T.; Araujo, C.M.; Mindemark, J.; Brandell, D.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

On the interaction between carbon nanomaterials and lipid biomembranes

Journal of Molecular Liquids
2019 | Journal article
EID:

2-s2.0-85073023434

Part of ISSN: 01677322
Contributors: Atilhan, M.; Costa, L.T.; Aparicio, S.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Solvation structure and dynamics of Li <sup>+</sup> in ternary ionic liquid− Lithium salt electrolytes

Journal of Physical Chemistry B
2019 | Journal article
EID:

2-s2.0-85059735727

Part of ISSN: 15205207 15206106
Contributors: Huang, Q.; Lourenco, T.C.; Costa, L.T.; Zhang, Y.; Maginn, E.J.; Gurkan, B.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysis

Journal of Molecular Modeling
2019 | Journal article
EID:

2-s2.0-85071391439

Part of ISSN: 09485023 16102940
Contributors: Rocha, M.V.J.; Vilhena, F.S.; Signorelli, M.R.M.; de M. Carneiro, J.W.; Ramalho, T.C.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

X-ray Photoelectron Fingerprints of High-Valence Ruthenium-Oxo Complexes along the Oxidation Reaction Pathway in an Aqueous Environment

Journal of Physical Chemistry Letters
2019 | Journal article
EID:

2-s2.0-85075934947

Part of ISSN: 19487185
Contributors: Silva, J.L.; Unger, I.; Matias, T.A.; Franco, L.R.; Damas, G.; Costa, L.T.; Toledo, K.C.F.; Rocha, T.C.R.; De Brito, A.N.; Saak, C.-M. et al.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

A molecular dynamics study of lithium-containing aprotic heterocyclic ionic liquid electrolytes

Journal of Chemical Physics
2018 | Journal article
EID:

2-s2.0-85042692129

Part of ISSN: 00219606
Contributors: Lourenço, T.C.; Zhang, Y.; Costa, L.T.; Maginn, E.J.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

An in silico study of benzophenone derivatives as potential non-competitive inhibitors of trypanosoma cruzi and Leishmania amazonensis cysteine proteinases

Journal of the Brazilian Chemical Society
2018 | Journal article
EID:

2-s2.0-85039991380

Part of ISSN: 16784790 01035053
Contributors: Freitas, P.G.; Castilho, T.E.; De Almeida, L.; Maciel‑Rezende, C.M.; Costa, L.T.; Viegas, C.; Marques, M.J.; Dos Santos, M.H.; Da Silveira, N.J.F.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Computational approach to the discovery of phytochemical molecules with therapeutic potential targets to the PKCZ protein

Letters in Drug Design and Discovery
2018 | Journal article
EID:

2-s2.0-85048249713

Part of ISSN: 1875628X 15701808
Contributors: Freitas, P.G.; Elias, T.C.; Pinto, I.A.; Costa, L.T.; de Carvalho, P.V.S.D.; Omote, D.Q.; Camps, I.; Ishikawa, T.; Arcuri, H.A.; Vinga, S. et al.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Encapsulation of the Sulfur Compounds by Cucurbit[7]uril: A Quantum Chemistry Study

Journal of Physical Chemistry B
2018 | Journal article
EID:

2-s2.0-85058128329

Part of ISSN: 15205207 15206106
Contributors: Oliveira, O.V.D.; Costa, G.D.C.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Inclusion complexes between cisplatin and oxidized carbon nanostructures: A theoretical approach

Journal of Inorganic Biochemistry
2018 | Journal article
EID:

2-s2.0-85033368354

Part of ISSN: 18733344 01620134
Contributors: De Souza, L.A.; Dos Santos, H.F.; Costa, L.T.; De Almeida, W.B.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Understanding the Influence of the Electrochemical Behavior of Potassium Hexacyanoferrate(II/III) on Acetonitrile/Water Binary Mixtures: An Experimental and Molecular Dynamics Study

Journal of Physical Chemistry C
2018 | Journal article
EID:

2-s2.0-85042154040

Part of ISSN: 19327455 19327447
Contributors: Ferreira Batista, F.H.; Amaral Siqueira, L.J.; Costa, L.T.; Ferreira, T.L.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

A theoretical study on aminoacid-based ionic liquids with acid gases and water

Journal of Molecular Liquids
2017 | Journal article
EID:

2-s2.0-84999851937

Part of ISSN: 01677322
Contributors: Herrera, C.; de Carvalho Costa, G.; Atilhan, M.; Costa, L.T.; Aparicio, S.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Elucidating the Properties of Graphene-Deep Eutectic Solvents Interface

Langmuir
2017 | Journal article
EID:

2-s2.0-85020052162

Part of ISSN: 15205827 07437463
Contributors: Atilhan, M.; Costa, L.T.; Aparicio, S.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Local environment structure and dynamics of CO<sub>2</sub> in the 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide and related ionic liquids

Journal of Chemical Physics
2017 | Journal article
EID:

2-s2.0-85014934198

Part of ISSN: 00219606
Contributors: Lourenço, T.C.; Aparicio, S.; Costa, G.C.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Microscopic characterization of amino acid ionic liquids - water mixtures

Journal of Molecular Liquids
2017 | Journal article
EID:

2-s2.0-85017268931

Part of ISSN: 01677322
Contributors: Herrera, C.; Costa, L.T.; Atilhan, M.; Aparicio, S.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Modelling the Polymer Electrolyte/Li-Metal Interface by Molecular Dynamics simulations

Electrochimica Acta
2017 | Journal article
EID:

2-s2.0-85015401157

Part of ISSN: 00134686
Contributors: Ebadi, M.; Costa, L.T.; Araujo, C.M.; Brandell, D.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Natural polyprenylated benzophenone: keto-enol tautomerism from density functional calculations and the AIM theory

Journal of Molecular Modeling
2017 | Journal article
EID:

2-s2.0-85016608717

Part of ISSN: 09485023 16102940
Contributors: Lage, M.R.; Morbec, J.M.; Santos, M.H.; de M. Carneiro, J.W.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

On the behaviour of aqueous solutions of deep eutectic solvents at lipid biomembranes

Journal of Molecular Liquids
2017 | Journal article
EID:

2-s2.0-85030180536

Part of ISSN: 01677322
Contributors: Atilhan, M.; Costa, L.T.; Aparicio, S.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

Theoretical investigations of the herbicide glyphosate adsorption on the B<sub>12</sub>N<sub>12</sub> nanocluster

Orbital
2017 | Journal article
EID:

2-s2.0-85021813606

Part of ISSN: 19846428
Contributors: de Oliveira, O.V.; dos Santos, J.D.; Silva, J.C.F.; Costa, L.T.; Junior, M.F.F.; de Faria Franca, E.
Source: Self-asserted source
Costa LT via Scopus - Elsevier

A molecular understanding of the phase-behavior of thiophene in the ionic liquid [C<sub>4</sub>mim]<sup>+</sup>[BF<sub>4</sub>]<sup>-</sup> for extraction from petroleum streams

Fuel
2016 | Journal article
EID:

2-s2.0-84960879679

Part of ISSN: 00162361
Contributors: Oliveira, O.V.; Paluch, A.S.; Costa, L.T.
Source: Self-asserted source
Costa LT via Scopus - Elsevier
Items per page:
Page 1 of 2

Peer review (19 reviews for 14 publications/grants)

Review activity for ACS applied materials & interfaces. (2)
Review activity for ACS applied polymer materials. (1)
Review activity for Applied physics letters. (1)
Review activity for Chemical physics impact. (1)
Review activity for Environmental science & technology. (1)
Review activity for Journal of chemical & engineering data. (1)
Review activity for Journal of molecular liquids. (1)
Review activity for Journal of physical chemistry. (4)
Review activity for Macromolecules. (1)
Review activity for Molecular diversity. (2)
Review activity for Nature (1)
Review activity for Results in materials. (1)
Review activity for The journal of physical chemistry. (1)
Review activity for The journal of physical chemistry. (1)