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Oriented External Electric Fields Affect Rate and Stereoselectivity of Electrocyclic Reactions

Journal of physical chemistry. C, 2019-10, Vol.123 (43), p.26370-26378

2019

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Thermodynamics of Binding Between Proteins and Carbon Nanoparticles: The Case of C60@Lysozyme

Journal of physical chemistry. C, 2015-12, Vol.119 (50), p.28077-28082

2015

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CNT-Confinement Effects on the Menshutkin SN2 Reaction: The Role of Nonbonded Interactions

Journal of chemical theory and computation, 2016-08, Vol.12 (8), p.4082-4092

2016

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Product formation in rhodopsin by fast hydrogen motions

Physical chemistry chemical physics : PCCP, 2011-01, Vol.13 (9), p.3645-3648

2011

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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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C60@Lysozyme: Direct Observation by Nuclear Magnetic Resonance of a 1:1 Fullerene Protein Adduct

ACS nano, 2014-02, Vol.8 (2), p.1871-1877

2014

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

Angewandte Chemie (International ed.), 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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A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction

Theoretical chemistry accounts, 2007-07, Vol.118 (1), p.219-240

2007

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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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Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigation

Proteins, structure, function, and bioinformatics, 2008-11, Vol.73 (3), p.527-538

2008

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Aromatic Carbon–Carbon Bond Cleavage Using Tungsten Complexes. A DFT Computational Study

Organometallics, 2011-09, Vol.30 (18), p.4924-4934

2011

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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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Graphene Can Wreak Havoc with Cell Membranes

ACS applied materials & interfaces, 2015-02, Vol.7 (7), p.4406-4414

2015

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Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model

The journal of physical chemistry. B, 2009-11, Vol.113 (45), p.15067-15073

2009

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Identification and preparation of stable water dispersions of protein - Carbon nanotube hybrids and efficient design of new functional materials

Carbon (New York), 2019-06, Vol.147, p.70-82

2019

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Blocking the Passage: C60 Geometrically Clogs K+ Channels

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

2015

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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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Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes

ACS applied materials & interfaces, 2018-05, Vol.10 (18), p.15487-15493

2018

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The Catalytic Activity of Proline Racemase: A Quantum Mechanical/Molecular Mechanical Study

The journal of physical chemistry. B, 2008-01, Vol.112 (4), p.1057-1059

2008

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C–CN vs C–H Activation: Actual Mechanism of the Reaction between [(dippe)PtH]2 and Benzonitrile Evidenced by a DFT Computational Investigation

Organometallics, 2014-08, Vol.33 (16), p.4173-4182

2014

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IMPACT OF THE FASTING ABBREVIATION ON THE SURGICAL PATIENT

International Journal of Health Science, 2023-05, Vol.3 (34), p.2-11

2023

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Oriented External Electric Fields Affect Rate and Stereoselectivity of Electrocyclic Reactions

Thermodynamics of Binding Between Proteins and Carbon Nanoparticles: The Case of C60@Lysozyme

CNT-Confinement Effects on the Menshutkin SN2 Reaction: The Role of Nonbonded Interactions

Product formation in rhodopsin by fast hydrogen motions

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

C60@Lysozyme: Direct Observation by Nuclear Magnetic Resonance of a 1:1 Fullerene Protein Adduct

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

A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction

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

Computational evidence for the catalytic mechanism of glutaminyl cyclase. A DFT investigation

Aromatic Carbon–Carbon Bond Cleavage Using Tungsten Complexes. A DFT Computational Study

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

Graphene Can Wreak Havoc with Cell Membranes

Deciphering Intrinsic Deactivation/Isomerization Routes in a Phytochrome Chromophore Model

Identification and preparation of stable water dispersions of protein - Carbon nanotube hybrids and efficient design of new functional materials

Blocking the Passage: C60 Geometrically Clogs K+ Channels

Blocking the Passage: C 60 Geometrically Clogs K + Channels

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

Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes

The Catalytic Activity of Proline Racemase: A Quantum Mechanical/Molecular Mechanical Study

C–CN vs C–H Activation: Actual Mechanism of the Reaction between [(dippe)PtH]2 and Benzonitrile Evidenced by a DFT Computational Investigation

IMPACT OF THE FASTING ABBREVIATION ON THE SURGICAL PATIENT

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