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Constructions of new families of nonbinary quantum codes

Physical review. A, Atomic, molecular, and optical physics, 2009-10, Vol.80 (4), Article 042331

La Guardia, Giuliano G.

2009

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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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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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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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Relaxation due to random collisions with a many-qudit environment

Physical review. A, Atomic, molecular, and optical physics, 2009-02, Vol.79 (2), Article 022105

2009

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Model of a deterministic detector and dynamical decoherence

Physical review. A, Atomic, molecular, and optical physics, 2005-07, Vol.72 (1), Article 012310

2005

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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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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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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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Reversible and irreversible dynamics of a qubit interacting with a small environment

Physical review. A, Atomic, molecular, and optical physics, 2007-05, Vol.75 (5), Article 052110

2007

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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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Theoretical Studies on the Continuum Solvation of Some N,N‘-Dimethyl- and N-Methyl,N‘-acetyl-Guanidine and Guanidinium Conformers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-03, Vol.103 (12), p.1857-1867

1999

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Simulating noisy quantum protocols with quantum trajectories

Physical review. A, Atomic, molecular, and optical physics, 2004-06, Vol.69 (6), Article 062317

2004

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Ab initio study of preferential interactions between aromatic side chains

International journal of quantum chemistry, 1999, Vol.73 (2), p.175-186

1999

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Ab initio relative stability of a few conformers of bilirubin in vacuo and in aqueous solution (PCM)

International journal of quantum chemistry, 1998, Vol.70 (2), p.395-405

1998

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Chaotic ratchet dynamics with cold atoms in a pair of pulsed optical lattices

Physical review. A, Atomic, molecular, and optical physics, 2006-09, Vol.74 (3), Article 033617

2006

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Dynamical localization simulated on a few-qubit quantum computer

Physical review. A, Atomic, molecular, and optical physics, 2003-05, Vol.67 (5), Article 052312

2003

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Stability and acidity of salicylic acid rotamers in aqueous solution. A continuous model study

Journal of molecular liquids, 1994-07, Vol.61 (1), p.1-16

1994

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Structure of a dilute aqueous solution of argon. A Monte Carlo simulation

The Journal of chemical physics, 1980-01, Vol.72 (1), p.580-588

1980

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Constructions of new families of nonbinary quantum codes

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

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

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

Relaxation due to random collisions with a many-qudit environment

Model of a deterministic detector and dynamical decoherence

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

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

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)

Reversible and irreversible dynamics of a qubit interacting with a small environment

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

Theoretical Studies on the Continuum Solvation of Some N,N‘-Dimethyl- and N-Methyl,N‘-acetyl-Guanidine and Guanidinium Conformers

Simulating noisy quantum protocols with quantum trajectories

Ab initio study of preferential interactions between aromatic side chains

Ab initio relative stability of a few conformers of bilirubin in vacuo and in aqueous solution (PCM)

Chaotic ratchet dynamics with cold atoms in a pair of pulsed optical lattices

Dynamical localization simulated on a few-qubit quantum computer

Stability and acidity of salicylic acid rotamers in aqueous solution. A continuous model study

Structure of a dilute aqueous solution of argon. A Monte Carlo simulation

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