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Quantum Effects for a Proton in a Low-Barrier, Double-Well Potential: Core Level Photoemission Spectroscopy of Acetylacetone

The journal of physical chemistry letters, 2018-02, Vol.9 (3), p.521-526

2018

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Beam dynamics optimization for high gradient beam driven plasma wakefield acceleration at SPARC-LAB

Journal of physics. Conference series, 2024-01, Vol.2687 (6), p.62023

2024

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Design and Test of C-band Linac Prototypes for Electron FLASH Radiotherapy

Journal of physics. Conference series, 2024-01, Vol.2687 (9), p.92005

2024

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Small- x structure of oxygen and neon isotopes as seen by the Large Hadron Collider

EPJ Web of conferences, 2024-01, Vol.296, p.10005

2024

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Advanced Studies for the Dynamics of High Brightness Electron Beams with the Code MILES

Journal of physics. Conference series, 2024-01, Vol.2687 (6), p.62018

2024

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Rotational spectroscopy of imidazole: Accurate spectroscopic information for three vibrationally excited states and the heavy-atom isotopologues up to 295 GHz

Journal of molecular spectroscopy, 2021-04, Vol.378, p.111452, Article 111452

2021

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Interactions of the intact FsrC membrane histidine kinase with the tricyclic peptide inhibitor siamycin I revealed through synchrotron radiation circular dichroism

Physical chemistry chemical physics : PCCP, 2013-01, Vol.15 (2), p.444-447

2013

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Membrane mediated regulation in free peptides of HIV-1 gp41: minimal modulation of the hemifusion phase

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (3), p.1277-1285

2012

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Conformational Landscape of (R,R)-Pterocarpans with Biological Activity in Vacuo and in Aqueous Solution (PCM and/or Water Clusters)

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2006-01, Vol.110 (2), p.647-659

2006

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Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons

The Journal of chemical physics, 2007-07, Vol.127 (1), p.014107-014107

2007

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Interplay of intra- and intermolecular H-bonds for the addition of a water molecule to the neutral and N-protonated forms of noradrenaline

International journal of quantum chemistry, 2002, Vol.90 (2), p.641-656

2002

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Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Serotonin

Journal of chemical theory and computation, 2005-09, Vol.1 (5), p.801-816

2005

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B3LYP/6-31G conformational landscape -in vacuo of some pterocarpan stereoisomers with biological activity

Physical chemistry chemical physics : PCCP, 2004-05, Vol.6 (10), p.2849-2857

2004

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Theoretical studies on the effects of methods and parameterization on the calculated free energy of hydration for small molecules

International journal of quantum chemistry, 2004-05, Vol.99 (3), p.161-178

2004

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5-fluorouracil dimers in aqueous solution: molecular dynamics in water and continuum solvation

International journal of quantum chemistry, 2002, Vol.88 (1), p.133-146

2002

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XAS characterization and CO oxidation on δ-alumina supported La, Mn, Co and Fe oxides

Physical chemistry chemical physics : PCCP, 2004, Vol.6 (6), p.1350-1358

2004

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LaAl1-XMnXO3 perovskite-type oxide solid solutions: structural, magnetic and electronic properties

Physical chemistry chemical physics : PCCP, 2003-03, Vol.5 (7), p.1467-1473

2003

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Ab initio modeling of competitive drug-drug interactions: 5-fluorouracil dimers in the gas phase and in solution

INT J QUANTUM CHEM, 2001, Vol.83 (3-4), p.128-142

2001

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LaAl1–xCrxO3 perovskite-type solid solutions: Structural, electronic, magnetic properties and catalytic activity towards CO oxidation

Physical chemistry chemical physics : PCCP, 2002-06, Vol.4 (13), p.3085-3090

2002

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Continuum solvent effects on various isomers of bilirubin

Physical chemistry chemical physics : PCCP, 2000-11, Vol.2 (21), p.4884-4890

2000

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Ab Initio Investigation of the Methylimidazole−Indole Complexes as Models of the Histidine−Tryptophan Pair

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-07, Vol.102 (30), p.6152-6160

1998

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The effect of intramolecular H-bonds on the aqueous solution continuum description of the N-protonated form of dopamine

Chemical physics, 1996-04, Vol.204 (2-3), p.239-249

1996

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Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO)

International journal of quantum chemistry, 2001, Vol.84 (6), p.740-749

2001

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Basis Set, Level, and Continuum Solvation Effects on the Stability of a Synthetic Dipeptide: PIDOTIMOD

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-07, Vol.103 (29), p.5823-5832

1999

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In situ analytical investigation of redox behavior of Cu-ZSM-5 catalysts

Physical chemistry chemical physics : PCCP, 1999-09, Vol.1 (18), p.4515-4519

1999

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Quantum Effects for a Proton in a Low-Barrier, Double-Well Potential: Core Level Photoemission Spectroscopy of Acetylacetone

Beam dynamics optimization for high gradient beam driven plasma wakefield acceleration at SPARC-LAB

Design and Test of C-band Linac Prototypes for Electron FLASH Radiotherapy

Small- x structure of oxygen and neon isotopes as seen by the Large Hadron Collider

Advanced Studies for the Dynamics of High Brightness Electron Beams with the Code MILES

Rotational spectroscopy of imidazole: Accurate spectroscopic information for three vibrationally excited states and the heavy-atom isotopologues up to 295 GHz

Interactions of the intact FsrC membrane histidine kinase with the tricyclic peptide inhibitor siamycin I revealed through synchrotron radiation circular dichroism

Membrane mediated regulation in free peptides of HIV-1 gp41: minimal modulation of the hemifusion phase

Conformational Landscape of (R,R)-Pterocarpans with Biological Activity in Vacuo and in Aqueous Solution (PCM and/or Water Clusters)

Efficient calculation of van der Waals dispersion coefficients with time-dependent density functional theory in real time: application to polycyclic aromatic hydrocarbons

Interplay of intra- and intermolecular H-bonds for the addition of a water molecule to the neutral and N-protonated forms of noradrenaline

Theoretical Conformational Analysis for Neurotransmitters in the Gas Phase and in Aqueous Solution. Serotonin

B3LYP/6-31G conformational landscape -in vacuo of some pterocarpan stereoisomers with biological activity

Theoretical studies on the effects of methods and parameterization on the calculated free energy of hydration for small molecules

5-fluorouracil dimers in aqueous solution: molecular dynamics in water and continuum solvation

XAS characterization and CO oxidation on δ-alumina supported La, Mn, Co and Fe oxides

LaAl1-XMnXO3 perovskite-type oxide solid solutions: structural, magnetic and electronic properties

Ab initio modeling of competitive drug-drug interactions: 5-fluorouracil dimers in the gas phase and in solution

LaAl1–xCrxO3 perovskite-type solid solutions: Structural, electronic, magnetic properties and catalytic activity towards CO oxidation

Continuum solvent effects on various isomers of bilirubin

Ab Initio Investigation of the Methylimidazole−Indole Complexes as Models of the Histidine−Tryptophan Pair

The effect of intramolecular H-bonds on the aqueous solution continuum description of the N-protonated form of dopamine

Reaction mechanisms between methylamine and a few Schiff bases: Ab initio potential energy surfaces of a catalytic step in semicarbazide sensitive amino oxidases (SSAO)

Basis Set, Level, and Continuum Solvation Effects on the Stability of a Synthetic Dipeptide: PIDOTIMOD

In situ analytical investigation of redox behavior of Cu-ZSM-5 catalysts

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