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Synthesis and characterisation of fully aromatic lactamimide-containing polyesters.
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- Macromolecular Chemistry & Physics, 1999, v. 200, n. 1, p. 239, doi. 10.1002/(SICI)1521-3935(19990101)200:1<239::AID-MACP239>3.0.CO;2-4
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- Article
Polymers from coumarins, 3.
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- Macromolecular Chemistry & Physics, 1997, v. 198, n. 10, p. 3065, doi. 10.1002/macp.1997.021981007
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- Article
Trifluoromethyl-stabilized 2D nitrogen clusters: a theoretical study.
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- Journal of Molecular Modeling, 2022, v. 28, n. 8, p. 1, doi. 10.1007/s00894-022-05216-6
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- Article
Complexes of Li, Na, and Mg with 2D allotropies of second and third period: a theoretical study.
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- Journal of Molecular Modeling, 2022, v. 28, n. 1, p. 1, doi. 10.1007/s00894-021-05019-1
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- Article
In silico modeling: electronic properties of phosphorene monoflakes and biflakes substituted with Al, Si, and S heteroatoms.
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- Journal of Molecular Modeling, 2021, v. 27, n. 6, p. 1, doi. 10.1007/s00894-021-04789-y
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- Article
Novel 2D allotropic forms and nanoflakes of silicon, phosphorus, and germanium: a computational study.
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- Journal of Molecular Modeling, 2021, v. 27, n. 5, p. 1, doi. 10.1007/s00894-021-04775-4
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- Article
The electronic structure of van der Waals heterostructures formed by the nanoflakes of black phosphorene with those of graphene and haeckelites: their complexes with Li.
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- Journal of Molecular Modeling, 2020, v. 26, n. 8, p. N.PAG, doi. 10.1007/s00894-020-04463-9
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- Article
Electronic structure of hybrid pentaheptite carbon nanoflakes containing boron-nitrogen motifs.
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- Journal of Molecular Modeling, 2020, v. 26, n. 4, p. 1, doi. 10.1007/s00894-020-4324-9
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- Article
Modeling of silicon- and aluminum-doped phosphorene nanoflakes.
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- Journal of Molecular Modeling, 2019, v. 25, n. 9, p. N.PAG, doi. 10.1007/s00894-019-4182-5
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- Article
Synthesis, molecular modelling and polymerization of lactamimide macrocycles.
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- Polymer International, 2003, v. 52, n. 9, p. 1454
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- Article
A Novel, One-Pot Synthesis of Novel 3F, 5F, and 8F Aromatic Polymers.
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- Macromolecular Rapid Communications, 2007, v. 28, n. 2, p. 183, doi. 10.1002/marc.200600656
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- Article
Fully conjugated push-pull dendrons with high dipole moments in excited state; synthesis and theoretical rationalization.
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- Journal of Physical Organic Chemistry, 2015, v. 28, n. 4, p. 304, doi. 10.1002/poc.3411
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- Article
Superacid mediated hydroxyalkylation reaction of 1,2,3-indanetrione: a theoretical study.
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- Journal of Physical Organic Chemistry, 2010, v. 23, n. 9, p. 878, doi. 10.1002/poc.1680
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- Article
Push–pull hyperbranched molecules. A theoretical study.
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- Journal of Physical Organic Chemistry, 2009, v. 22, n. 1, p. 9, doi. 10.1002/poc.1417
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- Article
Bisimide-Lactamimide ring contraction in six-membered bisimides: a theoretical study.
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- Journal of Physical Organic Chemistry, 2001, v. 14, n. 9, p. 657, doi. 10.1002/poc.409
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- Article
Novel substituted 1-amino-4,5,8-naphthalenetricarboxylic acid-1,8-lactam-4,5-imides: experimental and theoretical study.
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- Journal of Physical Organic Chemistry, 2000, v. 13, n. 11, p. 705, doi. 10.1002/1099-1395(200011)13:11<705::AID-POC306>3.0.CO;2-L
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- Article
Superelectrophilic Activation of N-Substituted Isatins: Implications for Polymer Synthesis, a Theoretical Study.
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- Macromolecular Theory & Simulations, 2009, v. 18, n. 2, p. 138, doi. 10.1002/mats.200800075
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- Article
Theoretical Study of Glycidol Hyperbranching Polymerisation.
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- Macromolecular Theory & Simulations, 2001, v. 10, n. 8, p. 762, doi. 10.1002/1521-3919(20011001)10:8<762::AID-MATS762>3.0.CO;2-Q
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- Article
Computational Study of Metathesis Degradation of Rubber, 3. Distribution of Cyclic and Linear Oligomers via Intermolecular Degradation of cis-Poly(butadiene).
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- Macromolecular Theory & Simulations, 2001, v. 10, n. 7, p. 729, doi. 10.1002/1521-3919(20010901)10:7<729::AID-MATS729>3.0.CO;2-Q
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- Article
Computional Study of Metathesis Degradation of Rubber, 2. Distribution of Cyclic Oligomers via Intramolecular Metathesis Degradation of Natural Rubber.
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- Macromolecular Theory & Simulations, 2001, v. 10, n. 5, p. 441, doi. 10.1002/1521-3919(20010601)10:5<441::AID-MATS441>3.0.CO;2-#
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- Article
Molecular modelling of solid-supported polymerisation of 4-(5-hexynyloxy)-β,β-dibromostyrene.
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- Macromolecular Theory & Simulations, 2000, v. 9, n. 5, p. 263, doi. 10.1002/1521-3919(20000601)9:5<263::AID-MATS263>3.0.CO;2-F
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Computational study of metathesis degradation of rubber, 1. Distribution of cyclic oligomers via intramolecular metathesis degradation of cis-polybutadiene.
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- Macromolecular Theory & Simulations, 1999, v. 8, n. 6, p. 581, doi. 10.1002/(SICI)1521-3919(19991101)8:6<581::AID-MATS581>3.0.CO;2-0
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- Article
Molecular modelling of ring-opening polymerisation of lactamimide-containing macrocyclic esters.
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- Macromolecular Theory & Simulations, 2000, v. 9, n. 1, p. 20, doi. 10.1002/(SICI)1521-3919(20000101)9:1<20::AID-MATS20>3.0.CO;2-S
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- Article
Effect of terminal groups on the electronic structure of hyperbranched polyacetylene.
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- Macromolecular Theory & Simulations, 1999, v. 8, n. 5, p. 403, doi. 10.1002/(SICI)1521-3919(19990901)8:5<403::AID-MATS403>3.0.CO;2-O
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- Article
Molecular modelling of hyperbranched polyacetylene.
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- Macromolecular Theory & Simulations, 1999, v. 8, n. 1, p. 54, doi. 10.1002/(SICI)1521-3919(19990101)8:1<54::AID-MATS54>3.0.CO;2-V
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- Article
DFT and local MP2 study of switching process in a pH controllable molecular “shuttle”.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 3, p. 685, doi. 10.1002/qua.21206
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- Article
Are water–aromatic complexes always stabilized due to π–H interactions? LMP2 study.
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- International Journal of Quantum Chemistry, 2005, v. 104, n. 3, p. 335, doi. 10.1002/qua.20558
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- Article
How important is the dispersion interaction for cyclobis(paraquat‐p‐phenylene)‐based molecular “shuttles”? A theoretical study.
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- International Journal of Quantum Chemistry, 2005, v. 102, n. 2, p. 200, doi. 10.1002/qua.20360
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Oniom (MP2:PM3) study of C<sub>60</sub>water complex.
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- International Journal of Quantum Chemistry, 2004, v. 97, n. 1, p. 679, doi. 10.1002/qua.10761
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- Article
Complexes of C60 fullerene with simple donor molecules: Theoretical study.
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- International Journal of Quantum Chemistry, 2002, v. 89, n. 5, p. 477, doi. 10.1002/qua.10317
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- Article
Stabilization of gold and silver nanowires inside cyclo[8]thiophene nanoaggregates: a theoretical study.
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- Journal of Nanoparticle Research, 2012, v. 14, n. 7, p. 1, doi. 10.1007/s11051-012-0979-1
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Complexes of C60 with cyclic oligoisothianaphthenes. A theoretical study.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 17, p. 2868, doi. 10.1002/qua.23263
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- Article
Synthesis and ROMP of new sulfobetaine and carboxybetaine norbornene.
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- e-Polymers, 2016, v. 16, n. 3, p. 181, doi. 10.1515/epoly-2015-0266
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- Article
Silicon‐Doped Graphene as a Catalyst for Hydrogenation of Carbon Dioxide: A Molecular Simulation Study.
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- ChemistrySelect, 2024, v. 9, n. 2, p. 1, doi. 10.1002/slct.202303649
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- Article
The CO<sub>2</sub> Reduction Reaction Mechanism on Silicene Nanoflakes. A Theoretical Perspective.
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- ChemistrySelect, 2023, v. 8, n. 7, p. 1, doi. 10.1002/slct.202203484
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- Article
DFT study of zinc, cadmium, mercury, copper, silver, and gold complexes of 21,23-dioxaporphyrin and one-dimensional arrays of those complexes.
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- Journal of Molecular Modeling, 2015, v. 21, n. 5, p. 1, doi. 10.1007/s00894-015-2676-3
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Charge transfer complexes of fullerene[60] with porphyrins as molecular rectifiers. A theoretical study.
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- Journal of Molecular Modeling, 2015, v. 21, n. 1, p. 1, doi. 10.1007/s00894-015-2570-z
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- Article
Mechanistic aspects of superacid mediated condensation of polyphenols with ketones. Implications for polymer synthesis.
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- Journal of Molecular Modeling, 2014, v. 20, n. 10, p. 1, doi. 10.1007/s00894-014-2474-3
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Multiconfigurational character of the ground states of polycyclic aromatic hydrocarbons. A systematic study.
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- Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2208-6
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- Article
Zinc-, cadmium-, and mercury-containing one-dimensional tetraphenylporphyrin arrays: a DFT study.
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- Journal of Molecular Modeling, 2014, v. 20, n. 4, p. 1, doi. 10.1007/s00894-014-2206-8
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- Article
Stabilization of gold nanowires inside nanoaggregates of cyclo[8]thiophene, cyclo[8]selenophene, and cyclo[8]tellurophene: a theoretical study.
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- Journal of Molecular Modeling, 2013, v. 19, n. 6, p. 2343, doi. 10.1007/s00894-013-1781-4
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Reactions of ketones with aromatics in acid media. The effect of trifluoromethyl groups and the acidity media. A theoretical study.
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- Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 793, doi. 10.1007/s00894-012-1610-1
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- Article
Rectifying behavior of charge transfer complexes of tetrakis(dimethylamino)ethene with acceptor molecules: a theoretical study.
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- Journal of Molecular Modeling, 2013, v. 19, n. 1, p. 65, doi. 10.1007/s00894-012-1523-z
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- Article
'Russian doll' complexes of [ n]cycloparaphenylenes: a theoretical study.
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- Journal of Molecular Modeling, 2012, v. 18, n. 9, p. 4025, doi. 10.1007/s00894-012-1402-7
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- Article
Synthesis of Novel Polymers via ROMP of Benzyne‐Derived Monomers and Their NMR Spectroscopic Properties.
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- Macromolecular Chemistry & Physics, 2023, v. 224, n. 19, p. 1, doi. 10.1002/macp.202300138
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- Article