(Q57887190)

1

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Lorenzo Maschio

object named as

Lorenzo Maschio

4

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author name string

Roberto Dovesi

3

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Cesare Pisani

Journal of Chemical Physics

5

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language of work or name

English

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publication date

21 February 2009

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published in

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volume

130

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issue

7

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page(s)

074505

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cites work

Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies

1 reference

Density-functional exchange-energy approximation with correct asymptotic behavior

21 January 2018

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Local-MP2 electron correlation method for nonconducting crystals

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Fast local-MP2 method with density-fitting for crystals. I. Theory and algorithms

21 January 2018

1 reference

Fast local-MP2 method with density-fitting for crystals. II. Test calculations and application to the carbon dioxide crystal

21 January 2018

1 reference

Periodic local MP2 method for the study of electronic correlation in crystals: Theory and preliminary applications

21 January 2018

1 reference

Density-functional thermochemistry. III. The role of exact exchange

21 January 2018

1 reference

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

21 January 2018

1 reference

The vibrational spectrum of calcite (CaCO3): an ab initio quantum-mechanical calculation

21 January 2018

1 reference

Fitting of local densities in periodic systems

21 January 2018

1 reference

Phase transition in KOH-doped hexagonal ice

21 January 2018

1 reference

Evidence for two kinds of hydrogen bond in ice

21 January 2018

1 reference