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Synthesis, Optical Properties, and Regioselective Functionalization of 4a-Aza-10a-boraphenanthrene

Organic letters, 2017-07, Vol.19 (13), p.3458-3461

2017

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Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

Journal of chemical theory and computation, 2021-09, Vol.17 (9), p.5429-5439

2021

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[10]annulene: Electrocyclization mechanisms

Journal of computational chemistry, 2021-06, Vol.42 (16), p.1150-1158

2021

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How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins

Metallomics, 2020-03, Vol.12 (3), p.363

2020

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Definition and determination of the triplet-triplet energy transfer reaction coordinate

The Journal of chemical physics, 2014-01, Vol.140 (3), p.034102-034102

2014

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Halogen-containing thiazole orange analogues - new fluorogenic DNA stains

Beilstein journal of organic chemistry, 2017, Vol.13 (1), p.2902-2914

2017

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Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2012-07, Vol.116 (26), p.7039-7049

2012

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Photoinduced Proton Transfer as a Possible Mechanism for Highly Efficient Excited-State Deactivation in Proteins

The journal of physical chemistry letters, 2010-01, Vol.1 (1), p.425-428

2010

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Novel charged NLO chromophores based on quinolizinium acceptor units

Dyes and pigments, 2014-02, Vol.101, p.116-121

2014

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Design and photophysical properties of a new molecule with a N–B–N linked chromophore

Chemical physics letters, 2009-08, Vol.478 (4), p.206-210

2009

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Rearrangement of Dewar Benzene Derivatives Studied by DFT

Journal of organic chemistry, 2010-02, Vol.75 (3), p.576-581

2010

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Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S‑Nitrosothiols

Journal of chemical theory and computation, 2012-09, Vol.8 (9), p.3293-3302

2012

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Trapping Unstable Terminal M−O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids

Inorganic chemistry, 2010-11, Vol.49 (22), p.10642-10648

2010

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First principles study of photostability within hydrogen-bonded amino acids

PCCP. Physical chemistry chemical physics (Print), 2011-05, Vol.13 (17), p.7805-7811

2011

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Donor-(π-bridge)-azinium as D-π-A+ one-dimensional and D-π-A(+)-π-D multidimensional V-shaped chromophores

Organic & biomolecular chemistry, 2012-02, Vol.10 (8), p.1659-1669

2012

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A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces

The Journal of chemical physics, 2005-09, Vol.123 (10), p.104108-104108-11

2005

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Cyclooctatetraene Computational Photo- and Thermal Chemistry: A Reactivity Model for Conjugated Hydrocarbons

Journal of the American Chemical Society, 2002-11, Vol.124 (46), p.13770-13789

2002

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Synthesis of charged bis-heteroaryl donor-acceptor (D-A+) NLO-phores coupling (π-deficient-π-excessive) heteroaromatic rings

Organic & biomolecular chemistry, 2013-11, Vol.11 (41), p.7145-7154

2013

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Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes

Organometallics, 2010-01, Vol.29 (1), p.263-268

2010

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On the mechanism of the photocyclization of azadienes

Tetrahedron, 2012-01, Vol.68 (2), p.730-736

2012

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The Role of the Intersection Space in the Photochemistry of Tricyclo[3.3.0.02,6]octa-3,7-diene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2007-04, Vol.111 (15), p.2830-2838

2007

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Heteroaromatic Cation-Based Chromophores: Synthesis and Nonlinear Optical Properties of Alkynylazinium Salts

European Journal of Organic Chemistry, 2010-11, Vol.2010 (33), p.6323-6330

2010

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First Synthesis of Biquinolizinium Salts: Novel Example of a Chiral Azonia Dication

Organic letters, 2006-12, Vol.8 (26), p.5955-5958

2006

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Role of bifurcation in the bond shifting of cyclooctatetraene

Journal of computational chemistry, 2002-05, Vol.23 (7), p.732-736

2002

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Theoretical Determination of the Singlet → Singlet and Singlet → Triplet Electronic Spectra, Lowest Ionization Potentials, and Electron Affinity of Cyclooctatetraene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2003-07, Vol.107 (28), p.5472-5478

2003

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Synthesis, Optical Properties, and Regioselective Functionalization of 4a-Aza-10a-boraphenanthrene

Thermal and Mechanochemical Tuning of the Porphyrin Singlet-Triplet Gap for Selective Energy Transfer Processes: A Molecular Dynamics Approach

[10]annulene: Electrocyclization mechanisms

How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins

Definition and determination of the triplet-triplet energy transfer reaction coordinate

Halogen-containing thiazole orange analogues - new fluorogenic DNA stains

Modulating Nitric Oxide Release by S-Nitrosothiol Photocleavage: Mechanism and Substituent Effects

Photoinduced Proton Transfer as a Possible Mechanism for Highly Efficient Excited-State Deactivation in Proteins

Novel charged NLO chromophores based on quinolizinium acceptor units

Design and photophysical properties of a new molecule with a N–B–N linked chromophore

Rearrangement of Dewar Benzene Derivatives Studied by DFT

Structural Substituent Effect in the Excitation Energy of a Chromophore: Quantitative Determination and Application to S‑Nitrosothiols

Trapping Unstable Terminal M−O Multiple Bonds of Monocyclopentadienyl Niobium and Tantalum Complexes with Lewis Acids

First principles study of photostability within hydrogen-bonded amino acids

Donor-(π-bridge)-azinium as D-π-A+ one-dimensional and D-π-A(+)-π-D multidimensional V-shaped chromophores

A new algorithm for predicting triplet-triplet energy-transfer activated complex coordinate in terms of accurate potential-energy surfaces

Cyclooctatetraene Computational Photo- and Thermal Chemistry: A Reactivity Model for Conjugated Hydrocarbons

Synthesis of charged bis-heteroaryl donor-acceptor (D-A+) NLO-phores coupling (π-deficient-π-excessive) heteroaromatic rings

Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes

On the mechanism of the photocyclization of azadienes

The Role of the Intersection Space in the Photochemistry of Tricyclo[3.3.0.02,6]octa-3,7-diene

Heteroaromatic Cation-Based Chromophores: Synthesis and Nonlinear Optical Properties of Alkynylazinium Salts

First Synthesis of Biquinolizinium Salts: Novel Example of a Chiral Azonia Dication

Role of bifurcation in the bond shifting of cyclooctatetraene

Theoretical Determination of the Singlet → Singlet and Singlet → Triplet Electronic Spectra, Lowest Ionization Potentials, and Electron Affinity of Cyclooctatetraene

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