Lista de obras -

Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

artículo científico publicado en 2005

Combined Experimental and Computational Study of Intramolecular Charge Transfer In p-N,N-Dimethylamino-p′-cyano-diphenylacetylene ⬇️

artículo científico publicado el 21 de diciembre de 2010

Conformational pathways of saturated six-membered rings. A static and dynamical density functional study

artículo científico publicado en 2005

Correctionto Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study.

artículo científico publicado en 2014

Covalent Functionalization of Boron Nitride Nanotubes via Reduction Chemistry

artículo científico publicado en 2015

DFT analysis of co-alkyl and co-adenosyl vibrational modes in B12-cofactors.

artículo científico publicado en 2006

Direct observation of electronic relaxation dynamics in adenine via time-resolved photoelectron spectroscopy

artículo científico publicado en 2004

Discerning vibronic molecular dynamics using time-resolved photoelectron spectroscopy

artículo científico publicado en 1999

Doming modes and dynamics of model heme compounds

artículo científico publicado en 2002

Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment

artículo científico publicado en 2005

Experimental and theoretical studies of the conformational structures of the mixed clusters of 1-cyanonaphthalene with water

artículo científico publicado en 2005

Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.

artículo científico publicado en 2006

FeNO Structure in Distal Pocket Mutants of Myoglobin Based on Resonance Raman Spectroscopy†

artículo científico publicado en 2003

Geometries and excited-state dynamics of van der Waals dimers and higher clusters of 1-cyanonaphthalene

artículo científico publicado en 2005

High-resolution spectroscopy of jet-cooled 1,1'-diphenylethylene: electronically excited and ionic states of a prototypical cross-conjugated system

artículo científico publicado en 2011

Mechanism and dynamics of azobenzene photoisomerization

artículo científico publicado en 2003

Mesitylthio-oligothiophenes in various redox states. Molecular and electronic views as offered by spectroscopy and theory.

artículo científico publicado en 2005

Molecular orbital analysis of anomalous trans effect in cobalamins

artículo científico publicado en 2005

Nuclear Resonance Vibrational Spectra of Five-Coordinate Imidazole-Ligated Iron(II) Porphyrinates ⬇️

artículo científico publicado el 13 de enero de 2012

O-2 Substituted pyranosyl oxacarbenium ions are C-2-O-2 2-fold rotors with a strong syn preference

artículo científico publicado en 2007

On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases

artículo científico publicado en 2005

Photoinduced charge-transfer dehydrogenation in a gas-phase metal-DNA base complex: Al-cytosine

artículo científico publicado en 2002

Photophysical and spectroscopic manifestations of the low-lying pisigma* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptions

artículo científico publicado en 2009

Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles

artículo científico publicado en 2005

Photophysics of aromatic molecules with low-lying pi sigma* states: fluorinated benzenes

artículo científico publicado en 2005

Primary processes underlying the photostability of isolated DNA bases: adenine

artículo científico publicado en 2006

Quantitative vibrational dynamics of iron in carbonyl porphyrins

artículo científico publicado en 2007

Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

artículo científico publicado en 2004

Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study.

artículo científico publicado en 2013

Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet-to-Triplet Intersystem Crossing in an Extended Viologen

scientific article published on 01 January 2008

Resonance Raman spectroscopy of the B1u region of benzene: Analysis in terms of pseudo‐Jahn–Teller distortion

Role of the pisigma* state in molecular photophysics

artículo científico publicado en 2010

Spectroscopy and photophysics of 1,4-bis(phenylethynyl)benzene: effects of ring torsion and dark pi sigma* state

artículo científico publicado en 2008

Super-high energy-rich nitrogen cluster N60

The effect of substituents on the vibronic structure of the electronic spectra of α,ω-dithienylpolyenes: A computational study

artículo científico publicado en 2001

The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne

artículo científico publicado en 2008

The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules

artículo científico publicado en 2004

The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile ⬇️

artículo científico publicado el 11 de marzo de 2011

The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions

artículo científico publicado en 2005

Theoretical Simulation of the Zeke Spectra of Naphthalene From Single Vibronic Levels of S1

artículo científico publicado en 1999

Theoretical analysis of electronic absorption spectra of vitamin B12 models

artículo científico publicado en 2001

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

artículo científico publicado en 2004

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B[sub 12]

artículo científico publicado en 2009

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin

artículo científico publicado en 2008

Vibrational Analysis of Methylcobalamin

artículo científico publicado en 2002

Vibrational Dynamics of Biological Molecules: Multi-quantum Contributions

artículo científico publicado en 2005

Lista de obras de

Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivatives

Combined Experimental and Computational Study of Intramolecular Charge Transfer In p-N,N-Dimethylamino-p′-cyano-diphenylacetylene ⬇️

Conformational pathways of saturated six-membered rings. A static and dynamical density functional study

Correctionto Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study.

Covalent Functionalization of Boron Nitride Nanotubes via Reduction Chemistry

DFT analysis of co-alkyl and co-adenosyl vibrational modes in B12-cofactors.

Direct observation of electronic relaxation dynamics in adenine via time-resolved photoelectron spectroscopy

Discerning vibronic molecular dynamics using time-resolved photoelectron spectroscopy

Doming modes and dynamics of model heme compounds

Electronic and vibrational spectra of the low-lying pisigma* state of 4-dimethylaminobenzonitrile: comparison of theoretical predictions with experiment

Experimental and theoretical studies of the conformational structures of the mixed clusters of 1-cyanonaphthalene with water

Exploration of ground and excited electronic states of aromatic and quinoid S,S-dioxide terthiophenes. Complementary systems for enhanced electronic organic materials.

FeNO Structure in Distal Pocket Mutants of Myoglobin Based on Resonance Raman Spectroscopy†

Geometries and excited-state dynamics of van der Waals dimers and higher clusters of 1-cyanonaphthalene

High-resolution spectroscopy of jet-cooled 1,1'-diphenylethylene: electronically excited and ionic states of a prototypical cross-conjugated system

Mechanism and dynamics of azobenzene photoisomerization

Mesitylthio-oligothiophenes in various redox states. Molecular and electronic views as offered by spectroscopy and theory.

Molecular orbital analysis of anomalous trans effect in cobalamins

Nuclear Resonance Vibrational Spectra of Five-Coordinate Imidazole-Ligated Iron(II) Porphyrinates ⬇️

O-2 Substituted pyranosyl oxacarbenium ions are C-2-O-2 2-fold rotors with a strong syn preference

On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases

Photoinduced charge-transfer dehydrogenation in a gas-phase metal-DNA base complex: Al-cytosine

Photophysical and spectroscopic manifestations of the low-lying pisigma* state of 4-(dimethylamino)benzethyne: solvent-polarity dependence of fluorescence and excited-state absorptions

Photophysics of aromatic molecules with low-lying pi sigma* states: excitation-energy dependence of fluorescence in jet-cooled aromatic nitriles

Photophysics of aromatic molecules with low-lying pi sigma* states: fluorinated benzenes

Primary processes underlying the photostability of isolated DNA bases: adenine

Quantitative vibrational dynamics of iron in carbonyl porphyrins

Quantitative vibrational dynamics of iron in nitrosyl porphyrins.

Quantitative vibrational dynamics of the metal site in a tin porphyrin: an IR, NRVS, and DFT study.

Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet-to-Triplet Intersystem Crossing in an Extended Viologen

Resonance Raman spectroscopy of the B1u region of benzene: Analysis in terms of pseudo‐Jahn–Teller distortion

Role of the pisigma* state in molecular photophysics

Spectroscopy and photophysics of 1,4-bis(phenylethynyl)benzene: effects of ring torsion and dark pi sigma* state

Super-high energy-rich nitrogen cluster N60

The effect of substituents on the vibronic structure of the electronic spectra of α,ω-dithienylpolyenes: A computational study

The low-lying pisigma* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne

The role of pi sigma* state in intramolecular electron-transfer dynamics of 4-dimethylaminobenzonitrile and related molecules

The role of the πσ* state in intramolecular charge transfer of 4-(dimethylamino)benzonitrile ⬇️

The two-conformer hypothesis: 2,3,4,6-tetra-O-methyl-mannopyranosyl and -glucopyranosyl oxacarbenium ions

Theoretical Simulation of the Zeke Spectra of Naphthalene From Single Vibronic Levels of S1

Theoretical analysis of electronic absorption spectra of vitamin B12 models

Theoretical analysis of singlet and triplet excited states of nickel porphyrins

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B[sub 12]

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of methylcobalamin

Vibrational Analysis of Methylcobalamin

Vibrational Dynamics of Biological Molecules: Multi-quantum Contributions