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Van der Waals Interaction Energies of Helium, Neon, and Argon with Naphthalene

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2001-11, Vol.105 (45), p.10379-10383

2001

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HF-HL method: Combination of Hartree-Fock and Heitler-London approximations

International journal of quantum chemistry, 2005, Vol.105 (6), p.831-838

Corongiu, Giorgina

2005

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Small Clusters of Water Molecules Using Density Functional Theory

Journal of physical chemistry (1952), 1996-05, Vol.100 (21), p.8701-8711

1996

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Solvent effects in density functional calculations of uracil and cytosine tautomerism

International journal of quantum chemistry, 1995-12, Vol.56 (5), p.615-625

1995

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HF-CC model for atoms and molecules

International journal of quantum chemistry, 2002, Vol.90 (4-5), p.1295-1308

2002

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Interaction of explicit solvent with hydrophobic/philic/charged residues of a protein: Residue character vs. conformational context

Proteins, structure, function, and bioinformatics, 1998-08, Vol.32 (2), p.129-135

1998

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Correlated solvent-induced forces on a protein at single residue resolution: relation to conformation, stability, dynamics and function

Chemical physics letters, 1996-05, Vol.254 (5), p.292-301

1996

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From Atoms to Large Chemical Systems with Computational Chemistry. Synthesis on Theoretical Methods and Computational Techniques Des atomes aux grands systèmes biomoléculaires

Oil & gas science and technology, 2006-11, Vol.51 (1), p.19-35

2006

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Molecular dynamics simulations of liquid water using the NCC ab initio potential

Journal of physical chemistry (1952), 1990-10, Vol.94 (20), p.7949-7956

1990

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Comments on computational chemistry: From diatomic molecules to large biochemical systems

International journal of quantum chemistry, 2005, Vol.105 (6), p.709-730

2005

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Monte Carlo study of free energy of hydration for Li+, Na+, K+, F-, and Cl- with ab initio potentials

The Journal of chemical physics, 1988, Vol.88 (12), p.7766-7771

1988

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Comments on the carbon cluster C60 and on its complexes with alkaline elements

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1185-1208

1992

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Revisiting the potential energy surface for [H3N ··· HCl]: An ab initio and density functional theory investigation

International journal of quantum chemistry, 1996, Vol.59 (2), p.119-134

1996

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Monte Carlo liquid water simulation with four-body interactions included

Chemical physics letters, 1984-12, Vol.112 (5), p.426-430

1984

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Comments on the carbon cluster C 60 and on its complexes with alkaline elements

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1185-1208

1992

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Theoretical Studies of H+(H2O)5

Journal of physical chemistry (1952), 1995-05, Vol.99 (20), p.8038-8044

1995

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Gas-phase geometries and energies of bis(2,2′-bipyridine) interacting either with Cu(I) or Ag(I): Computational study

International journal of quantum chemistry, 2003, Vol.93 (6), p.395-404

2003

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Hydration free energy for Li+ at infinite dilution with a three-body ab initio potential

The Journal of chemical physics, 1989, Vol.90 (8), p.4629-4630

1989

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Molecular dynamics simulation for liquid water using a polarizable and flexible potential

International journal of quantum chemistry, 1992-06, Vol.42 (5), p.1209-1235

Corongiu, Giorgina

1992

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Geometrical basis set for molecular computations

Chemical physics letters, 1982-01, Vol.90 (5), p.359-363

1982

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Acetylcholine in water: Ab-initio potential and Monte Carlo simulation

Journal of computational chemistry, 1988-01, Vol.9 (1), p.1-10

1988

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Preliminary observations on a new water-water potential

International journal of quantum chemistry, 1989-04, Vol.36 (S23), p.421-443

1989

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Liquid water with an ab initio potential : X-ray and neutron scattering from 238 to 368 K

The Journal of chemical physics, 1992-08, Vol.97 (3), p.2030-2038

1992

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Note on the atomic correlation energy

International journal of quantum chemistry, 1997, Vol.62 (6), p.571-591

1997

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The hydration shell of myoglobin

European biophysics journal, 1992-11, Vol.21 (5), p.313-320

1992

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Van der Waals Interaction Energies of Helium, Neon, and Argon with Naphthalene

HF-HL method: Combination of Hartree-Fock and Heitler-London approximations

Small Clusters of Water Molecules Using Density Functional Theory

Solvent effects in density functional calculations of uracil and cytosine tautomerism

HF-CC model for atoms and molecules

Interaction of explicit solvent with hydrophobic/philic/charged residues of a protein: Residue character vs. conformational context

Correlated solvent-induced forces on a protein at single residue resolution: relation to conformation, stability, dynamics and function

From Atoms to Large Chemical Systems with Computational Chemistry. Synthesis on Theoretical Methods and Computational Techniques Des atomes aux grands systèmes biomoléculaires

Molecular dynamics simulations of liquid water using the NCC ab initio potential

Comments on computational chemistry: From diatomic molecules to large biochemical systems

Monte Carlo study of free energy of hydration for Li+, Na+, K+, F-, and Cl- with ab initio potentials

Comments on the carbon cluster C60 and on its complexes with alkaline elements

Revisiting the potential energy surface for [H3N ··· HCl]: An ab initio and density functional theory investigation

Monte Carlo liquid water simulation with four-body interactions included

Comments on the carbon cluster C 60 and on its complexes with alkaline elements

Theoretical Studies of H+(H2O)5

Gas-phase geometries and energies of bis(2,2′-bipyridine) interacting either with Cu(I) or Ag(I): Computational study

Hydration free energy for Li+ at infinite dilution with a three-body ab initio potential

Molecular dynamics simulation for liquid water using a polarizable and flexible potential

Geometrical basis set for molecular computations

Acetylcholine in water: Ab-initio potential and Monte Carlo simulation

Preliminary observations on a new water-water potential

Liquid water with an ab initio potential : X-ray and neutron scattering from 238 to 368 K

Note on the atomic correlation energy

The hydration shell of myoglobin

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