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Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation

Chemistry : a European journal, 2010-11, Vol.16 (41), p.12462-12473

2010

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Wavepacket Splitting and Two-Pathway Deactivation in the Photoexcited Visual Pigment Isorhodopsin

Angewandte Chemie International Edition, 2014-02, Vol.53 (9), p.2504-2507

International ed. in English, 2014

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Electrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: On the Role of Counterion Quenching

Journal of the American Chemical Society, 2009-04, Vol.131 (14), p.5172-5186

2009

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Deciphering the Reactive Pathways of Competitive Reactions inside Carbon Nanotubes

Nanomaterials (Basel, Switzerland), 2022-12, Vol.13 (1), p.8

2022

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Interactions between Endohedral Metallofullerenes and Proteins: The Gd@C60–Lysozyme Model

ACS omega, 2018-10, Vol.3 (10), p.13782-13789

2018

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A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst

Chemistry : a European journal, 2009-12, Vol.15 (48), p.13417-13426

2009

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DNAzymes at Work: A DFT Computational Investigation on the Mechanism of 9DB1

Journal of chemical information and modeling, 2019-04, Vol.59 (4), p.1547-1553

2019

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Blocking the Passage: C 60 Geometrically Clogs K + Channels

ACS nano, 2015-05, Vol.9 (5), p.4827-4834

2015

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Mechanistic Insights into Enantioselective Gold-Catalyzed Allylation of Indoles with Alcohols: The Counterion Effect

Journal of the American Chemical Society, 2012-12, Vol.134 (51), p.20690-20700

2012

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Allylic and Allenylic Dearomatization of Indoles Promoted by Graphene Oxide by Covalent Grafting Activation Mode

Chemistry : a European journal, 2020-08, Vol.26 (46), p.10427-10432

2020

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A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

Journal of the American Chemical Society, 2002-05, Vol.124 (19), p.5506-5513

2002

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Stable and Biocompatible Monodispersion of C 60 in Water by Peptides

Bioconjugate chemistry, 2019-03, Vol.30 (3), p.808-814

2019

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Aggregation Pathways of Native‐Like Ubiquitin Promoted by Single‐Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium

Chemistry : a European journal, 2018-03, Vol.24 (16), p.4140-4148

2018

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Gold(I)-Assisted α-Allylation of Enals and Enones with Alcohols

Angewandte Chemie (International ed.), 2015-12, Vol.54 (49), p.14885-14889

International ed. in English, 2015

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Proteins as supramolecular hosts for C 60 : a true solution of C 60 in water

Nanoscale, 2018-06, Vol.10 (21), p.9908-9916

2018

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A DFT Study of the Simmons−Smith Cyclopropanation Reaction

Journal of the American Chemical Society, 1997-12, Vol.119 (50), p.12300-12305

1997

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Engineering the Fullerene‐protein Interface by Computational Design: The Sum is More than its Parts

Israel journal of chemistry, 2017-06, Vol.57 (6), p.547-552

2017

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CNT‐Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways

ChemNanoMat : chemistry of nanomaterials for energy, biology and more, 2019-04, Vol.5 (4), p.499-505

2019

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Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy

ACS earth and space chemistry, 2023-05, Vol.7 (5), p.1172-1180

2023

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New Computational and Experimental Evidence for the Mechanism of the Sakurai Reaction

Journal of the American Chemical Society, 1997-12, Vol.119 (50), p.12131-12135

1997

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Conformational Selection of Ubiquitin Quaternary Structures Driven by Zinc Ions

Chemistry : a European journal, 2013-11, Vol.19 (46), p.15480-15484

2013

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Mechanism of Carbene Formation from the Excited States of Diazirine and Diazomethane: An MC-SCF Study

Journal of the American Chemical Society, 1994-03, Vol.116 (5), p.2064-2074

1994

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New Model for a Theoretical Density Functional Theory Investigation of the Mechanism of the Carbonic Anhydrase: How Does the Internal Bicarbonate Rearrangement Occur?

Journal of the American Chemical Society, 2004-02, Vol.126 (5), p.1542-1550

2004

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MCSCF study of the cycloaddition reaction between ketene and ethylene

Journal of the American Chemical Society, 1990-03, Vol.112 (6), p.2106-2114

1990

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A DFT Investigation of Ethylene Dimerization Catalyzed by Ni(0) Complexes

Journal of the American Chemical Society, 1998-08, Vol.120 (31), p.7770-7775

1998

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Asymmetric Phase-Transfer-Catalyzed Intramolecular N-Alkylation of Indoles and Pyrroles: A Combined Experimental and Theoretical Investigation

Wavepacket Splitting and Two-Pathway Deactivation in the Photoexcited Visual Pigment Isorhodopsin

Electrostatic Control of the Photoisomerization Efficiency and Optical Properties in Visual Pigments: On the Role of Counterion Quenching

Deciphering the Reactive Pathways of Competitive Reactions inside Carbon Nanotubes

Interactions between Endohedral Metallofullerenes and Proteins: The Gd@C60–Lysozyme Model

A Combined Theoretical and Experimental Investigation on the Enantioselective Oxidation of Aryl Benzyl Sulfides in the Presence of a Chiral Titanium Catalyst

DNAzymes at Work: A DFT Computational Investigation on the Mechanism of 9DB1

Blocking the Passage: C 60 Geometrically Clogs K + Channels

Mechanistic Insights into Enantioselective Gold-Catalyzed Allylation of Indoles with Alcohols: The Counterion Effect

Allylic and Allenylic Dearomatization of Indoles Promoted by Graphene Oxide by Covalent Grafting Activation Mode

A DFT Computational Study of the Bis-Silylation Reaction of Acetylene Catalyzed by Palladium Complexes

Stable and Biocompatible Monodispersion of C 60 in Water by Peptides

Aggregation Pathways of Native‐Like Ubiquitin Promoted by Single‐Point Mutation, Metal Ion Concentration, and Dielectric Constant of the Medium

Gold(I)-Assisted α-Allylation of Enals and Enones with Alcohols

Proteins as supramolecular hosts for C 60 : a true solution of C 60 in water

A DFT Study of the Simmons−Smith Cyclopropanation Reaction

Engineering the Fullerene‐protein Interface by Computational Design: The Sum is More than its Parts

CNT‐Catalyzed Oxidative Dehydrogenation of Ethylbenzene to Styrene: DFT Calculations Disclose the Pathways

Toward the Detection of Cyanoketene in the Interstellar Medium: New Hints from Quantum Chemistry and Rotational Spectroscopy

New Computational and Experimental Evidence for the Mechanism of the Sakurai Reaction

Conformational Selection of Ubiquitin Quaternary Structures Driven by Zinc Ions

Mechanism of Carbene Formation from the Excited States of Diazirine and Diazomethane: An MC-SCF Study

New Model for a Theoretical Density Functional Theory Investigation of the Mechanism of the Carbonic Anhydrase: How Does the Internal Bicarbonate Rearrangement Occur?

MCSCF study of the cycloaddition reaction between ketene and ethylene

A DFT Investigation of Ethylene Dimerization Catalyzed by Ni(0) Complexes

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