(Q57685350)

English

Different models for the calculation of solvent effects on 17O nuclear magnetic shielding

No description defined

In more languages

edit

Statements

instance of

scholarly article

0 references

title

Different models for the calculation of solvent effects on 17O nuclear magnetic shielding (English)

0 references

0 references

Maurizio Cossi

1

0 references

Orlando Crescenzi

series ordinal

2

0 references

language of work or name

English

0 references

publication date

15 May 2003

0 references

published in

Journal of Chemical Physics

0 references

volume

118

0 references

issue

19

0 references

page(s)

8863-8872

0 references

cites work

An accurate density functional method for the study of magnetic properties: the PBE0 model

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Solvent Effects on Nuclear Shieldings: Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Solvent effects on oxygen-17 chemical shifts in methyl formate: linear solvation shift relationships

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Contracted Gaussian basis sets for molecular calculations. I. Second row atoms, Z=11–18

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Analytical second derivatives of the free energy in solution by polarizable continuum models

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Polarizable dielectric model of solvation with inclusion of charge penetration effects

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

The escaped charge problem in solvation continuum models

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Comparison of simple potential functions for simulating liquid water

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Molecular dynamics with coupling to an external bath

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Reaction field effects on nitrogen shielding

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

The solvation reaction field for a hydrogen atom in a dielectric continuum

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

A multipole reaction-field model for gauge-origin independent magnetic properties of solvated molecules

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Solvent effects in emission spectroscopy: A Monte Carlo quantum mechanics study of the n←π* shift of formaldehyde in water

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Settle: An analytical version of the SHAKE and RATTLE algorithm for rigid water models

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1566734

retrieved

21 January 2018

Identifiers

DOI

10.1063/1.1566734

0 references

(Q57685350)

Different models for the calculation of solvent effects on 17O nuclear magnetic shielding

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)