(Q51896322)

17 April 2018

title

QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians. (English)

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author

Daan P Geerke

1

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Wilfred F van Gunsteren

4

object named as

Wilfred F van Gunsteren

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17 April 2018

Walter Thiel

object named as

Walter Thiel

3

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author name string

Stephan Thiel

2

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language of work or name

English

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publication date

1 November 2007

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Physical Chemistry Chemical Physics

published in

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volume

10

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issue

2

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page(s)

297-302

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Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

cites work

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QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis

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1 reference

Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice

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1 reference

Combined QM/MM Molecular Dynamics Study on a Condensed-Phase SN2 Reaction at Nitrogen: The Effect of Explicitly Including Solvent Polarization

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1 reference

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21 January 2018

Identifiers

DOI

10.1039/B713197F

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17 April 2018

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17 April 2018