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Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight

Physical chemistry chemical physics : PCCP, 2015-04, Vol.17 (16), p.168-1614

2015

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Synthesis, characterization and third-order non-linear optical properties of novel fluorene monomers and their cross-conjugated polymers

Polymer (Guilford), 2010-05, Vol.51 (11), p.2351-2359

2010

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Study of Self-Diffusion of Hyperbranched Polyglycidols in Poly(vinyl alcohol) Solutions and Gels by Pulsed-Field Gradient NMR Spectroscopy

Macromolecules, 2004-11, Vol.37 (23), p.8569-8576

2004

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Synthesis, properties and molecular modeling of functional hyperbranched polymers and dendrimers

Macromolecular symposia., 2003-03, Vol.192 (1), p.43-62

2003

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The Glaser reaction mechanism. A DFT study

Tetrahedron, 2002-08, Vol.58 (33), p.6741-6747

2002

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Remarkable enhancement of reactivity of carbonyl compounds for polymerizations with non-activated aromatic hydrocarbons

Chemical communications (Cambridge, England), 2004-04 (8), p.1030-1031

2004

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Molecular Modeling of Ruthenium Alkylidene Mediated Olefin Metathesis Reactions. DFT Study of Reaction Pathways

Organometallics, 2003-01, Vol.22 (1), p.93-99

2003

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Electronic structures of neutral, cationic and dicationic states of the low band gap polymers. Polythieno[3,4- b]benzene, a case study

Synthetic metals, 2009-10, Vol.159 (19), p.2081-2085

2009

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Are water-aromatic complexes always stabilized due to π-H interactions? LMP2 study

International journal of quantum chemistry, 2005, Vol.104 (3), p.335-341

2005

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Factors Enhancing the Reactivity of Carbonyl Compounds for Polycondensations with Aromatic Hydrocarbons. A Computational Study

Macromolecules, 2004-08, Vol.37 (16), p.6227-6235

2004

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Density Functional Theory Study of Ruthenium Alkylidene Mediated Cross-Metathesis Reaction Pathways between Cycloolefins and Halogenated Olefins

Organometallics, 2005-11, Vol.24 (23), p.5696-5701

2005

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Molecular modeling of the olefin metathesis by tungsten(0) carbene complexes

Journal of organometallic chemistry, 2001-07, Vol.630 (2), p.157-168

2001

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Computational modeling of ruthenium alkylidene mediated olefin metathesis A DFT study of reaction pathways for the ring-opening cross-metathesis of norbornene with olefins

Journal of molecular catalysis. A, Chemical, 2005-07, Vol.236 (1-2), p.156-161

2005

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Local MP2-Based Method for Estimation of Intermolecular Interactions in Aromatic Molecules. Benzene, Naphthalene, and Pyrimidine Dimers. A Comparison with Canonical MP2 Method

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-09, Vol.107 (36), p.7027-7031

2003

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Superacid-Catalyzed Polycondensation of Acenaphthenequinone with Aromatic Hydrocarbons

Macromolecules, 2005-07, Vol.38 (14), p.6005-6014

2005

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How important is the dispersion interaction for cyclobis(paraquat-p-phenylene)-based molecular "shuttles"? A theoretical study

International journal of quantum chemistry, 2005, Vol.102 (2), p.200-208

2005

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Reaction pathways of superelectrophilic polycondensation of 2,2,2-trifluoroacetophenone and biphenyl. A computational study

Polymer (Guilford), 2005-08, Vol.46 (18), p.7494-7503

2005

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Theoretical Description of Luminescent Effects in β,β-Di(4'-formylphenylethynyl)-4-ethynylstyrene

MRS proceedings, 1999, Vol.560, Article 359

1999

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Local MP2 Study of Naphthalene, Indole, and 2,3-Benzofuran Dimers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-04, Vol.106 (15), p.3941-3946

2002

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Role of (μ-Oxo)dicopper(III) Complexes in Oxidative Polymerization of Phenol. A DFT Study

Macromolecules, 2003-07, Vol.36 (15), p.5607-5612

2003

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Oniom (MP2:PM3) study of C60-water complex

International journal of quantum chemistry, 2004-03, Vol.97 (1), p.679-687

2004

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Polymers from coumarines: 4. Design and synthesis of novel hyperbranched and comb-like coumarin-containing polymers

Polymer (Guilford), 1998-07, Vol.39 (15), p.3551-3558

1998

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Complexes of C60 fullerene with simple donor molecules: Theoretical study

International journal of quantum chemistry, 2002, Vol.89 (5), p.477-483

2002

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Molecular modeling of metathesis degradation of polyalkenamers: 1. Degradation of polynorbornene via cross-metathesis with linear olefins

Polymer degradation and stability, 2004-10, Vol.86 (1), p.85-93

2004

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Interactions in pseudorotoxanes based on crown ether-secondary ammonium motifs. A theoretical study

Journal of molecular modeling, 2005-12, Vol.12 (1), p.85-92

2005

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Electronic structure of graphene nanoribbons doped with nitrogen atoms: a theoretical insight

Synthesis, characterization and third-order non-linear optical properties of novel fluorene monomers and their cross-conjugated polymers

Study of Self-Diffusion of Hyperbranched Polyglycidols in Poly(vinyl alcohol) Solutions and Gels by Pulsed-Field Gradient NMR Spectroscopy

Synthesis, properties and molecular modeling of functional hyperbranched polymers and dendrimers

The Glaser reaction mechanism. A DFT study

Remarkable enhancement of reactivity of carbonyl compounds for polymerizations with non-activated aromatic hydrocarbons

Molecular Modeling of Ruthenium Alkylidene Mediated Olefin Metathesis Reactions. DFT Study of Reaction Pathways

Electronic structures of neutral, cationic and dicationic states of the low band gap polymers. Polythieno[3,4- b]benzene, a case study

Are water-aromatic complexes always stabilized due to π-H interactions? LMP2 study

Factors Enhancing the Reactivity of Carbonyl Compounds for Polycondensations with Aromatic Hydrocarbons. A Computational Study

Density Functional Theory Study of Ruthenium Alkylidene Mediated Cross-Metathesis Reaction Pathways between Cycloolefins and Halogenated Olefins

Molecular modeling of the olefin metathesis by tungsten(0) carbene complexes

Computational modeling of ruthenium alkylidene mediated olefin metathesis A DFT study of reaction pathways for the ring-opening cross-metathesis of norbornene with olefins

Local MP2-Based Method for Estimation of Intermolecular Interactions in Aromatic Molecules. Benzene, Naphthalene, and Pyrimidine Dimers. A Comparison with Canonical MP2 Method

Superacid-Catalyzed Polycondensation of Acenaphthenequinone with Aromatic Hydrocarbons

How important is the dispersion interaction for cyclobis(paraquat-p-phenylene)-based molecular "shuttles"? A theoretical study

Reaction pathways of superelectrophilic polycondensation of 2,2,2-trifluoroacetophenone and biphenyl. A computational study

Theoretical Description of Luminescent Effects in β,β-Di(4'-formylphenylethynyl)-4-ethynylstyrene

Local MP2 Study of Naphthalene, Indole, and 2,3-Benzofuran Dimers

Role of (μ-Oxo)dicopper(III) Complexes in Oxidative Polymerization of Phenol. A DFT Study

Oniom (MP2:PM3) study of C60-water complex

Polymers from coumarines: 4. Design and synthesis of novel hyperbranched and comb-like coumarin-containing polymers

Complexes of C60 fullerene with simple donor molecules: Theoretical study

Molecular modeling of metathesis degradation of polyalkenamers: 1. Degradation of polynorbornene via cross-metathesis with linear olefins

Interactions in pseudorotoxanes based on crown ether-secondary ammonium motifs. A theoretical study

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