(Q47439596)

English

New Insights into the Jahn–Teller Effect through ab initio Quantum‐Mechanical/Molecular‐Mechanical Molecular Dynamics Simulations of CuII in Water

scientific article published on September 15, 2003

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

New Insights into the Jahn–Teller Effect through ab initio Quantum‐Mechanical/Molecular‐Mechanical Molecular Dynamics Simulations of CuII in Water (English)

reason for preferred rank

most precise value

1 reference

10.1002/CPHC.200300659

https://api.crossref.org/works/10.1002/CPHC.200300659

22 March 2024

New insights into the Jahn-Teller effect through ab initio quantum-mechanical/molecular-mechanical molecular dynamics simulations of CuII in water (English)

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A14562438

22 March 2024

author name string

Christian F. Schwenk

1

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A14562438

22 March 2024

Bernd M. Rode

2

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A14562438

22 March 2024

language of work or name

1 reference

National Center for Biotechnology Information

PubMed publication ID

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=14562438

22 March 2024

publication date

1 September 2003

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

15 September 2003

1 reference

National Center for Biotechnology Information

PubMed publication ID

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=14562438

22 March 2024

full work available at URL

https://api.wiley.com/onlinelibrary/tdm/v1/articles/10.1002%2Fcphc.200300659

1 reference

10.1002/CPHC.200300659

https://api.crossref.org/works/10.1002/CPHC.200300659

22 March 2024

https://onlinelibrary.wiley.com/doi/full/10.1002/cphc.200300659

1 reference

10.1002/CPHC.200300659

https://api.crossref.org/works/10.1002/CPHC.200300659

22 March 2024

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

4

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

9

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

931-943

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

Structural and Functional Aspects of Metal Sites in Biology

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordination.

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Many-body effects in intermolecular forces

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Electronic structure calculations on workstation computers: The program system turbomole

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Molecular orbital predictions of the vibrational frequencies of some molecular ions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Structure and dynamics of hydrated ions

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Molecular dynamics with coupling to an external bath

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

21 January 2018

Modern aspects of the Jahn-Teller effect theory and applications to molecular problems

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

7 January 2021

based on heuristic

inferred from DOI database lookup

Jahn-Teller effect in liquids: General principles and a molecular-dynamics simulation of the cupric ion in water

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

7 January 2021

based on heuristic

inferred from DOI database lookup

Structure and dynamics of metal ions in solution: QM/MM molecular dynamics simulations of Mn(2+) and V(2+)

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

7 January 2021

based on heuristic

inferred from DOI database lookup

Solvation of Ca2+in Water Studied by Born−Oppenheimer ab Initio QM/MM Dynamics

1 reference

https://api.crossref.org/works/10.1002%2FCPHC.200300659

7 January 2021

based on heuristic

inferred from DOI database lookup

Journal of Chemical Education

78

54

author name string

Smith D. W.

publication date

1977

1 reference

10.1002/CPHC.200300659

https://api.crossref.org/works/10.1002/CPHC.200300659

22 March 2024

Identifiers

10.1002/CPHC.200300659

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

16 January 2018

http://europepmc.org/abstract/MED/14562438

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