(Q38460422)

3 September 2017

title

FMO-MD simulations on the hydration of formaldehyde in water solution with constraint dynamics (English)

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3 September 2017

Makoto Sato

1

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3 September 2017

Hiroshi Yamataka

series ordinal

2

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3 September 2017

Yuto Komeiji

series ordinal

3

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3 September 2017

Yuji Mochizuki

series ordinal

4

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3 September 2017

language of work or name

English

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publication date

2 July 2012

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Chemistry—A European Journal

3 September 2017

number of pages

8

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based on heuristic

inferred from page(s)

published in

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3 September 2017

volume

18

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3 September 2017

issue

31

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3 September 2017

page(s)

9714-9721

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The Catalyzed Dehydration of Acetaldehyde Hydrate, and the Effect of Structure on the Velocity of Protolytic Reactions

3 September 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Computer simulations of enzyme catalysis: methods, progress, and insights

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Unified Approach for Molecular Dynamics and Density-Functional Theory

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation.

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

The importance of three-body terms in the fragment molecular orbital method

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

Solvation Effects on Zwitterion Formation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

High-Level ab Initio Molecular Orbital Calculations of Imine Formation

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FCHEM.201200874

21 January 2018

Identifiers

DOI

10.1002/CHEM.201200874

1 reference

3 September 2017

1 reference