(Q57278684)

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A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation

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scholarly article

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A second-order, quadratically convergent multiconfigurational self-consistent field polarizable continuum model for equilibrium and nonequilibrium solvation (English)

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Benedetta Mennucci

object named as

Benedetta Mennucci

3

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Kenneth Ruud

5

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4

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Jacopo Tomasi

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1

object named as

Roberto Cammi

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author name string

Luca Frediani

2

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Kurt V. Mikkelsen

6

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language of work or name

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publication date

July 2002

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Journal of Chemical Physics

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117

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1

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13-26

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1 reference

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1 reference

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Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I

1 reference

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Synthesis of methylenecyclopropene

1 reference

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A multiconfigurational self‐consistent reaction‐field method

1 reference

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Molecular Hessians for large‐scale MCSCF wave functions

1 reference

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Identifiers

10.1063/1.1480871

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