(Q34637718)

English

AM1* parameters for copper and zinc

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

AM1* parameters for copper and zinc (English)

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Europe PubMed Central

PubMed publication ID

3 August 2017

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author name string

Hakan Kayi

1

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

Timothy Clark

2

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

publication date

15 June 2007

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

Journal of Molecular Modeling

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Europe PubMed Central

PubMed publication ID

3 August 2017

13

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Europe PubMed Central

PubMed publication ID

3 August 2017

9

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

965-979

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

https://scigraph.springernature.com/pub.10.1007/s00894-007-0214-7

0 references

Specific Reaction Parametrization of the AM1/d Hamiltonian for Phosphoryl Transfer Reactions: H, O, and P Atoms

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Enthalpies of formation from B3LYP calculations

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

PM3-compatible zinc parameters optimized for metalloenzyme active sites

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A PM3/d specific reaction parameterization for iron atom in the hydrogen abstraction catalyzed by soybean lipoxygenase-1.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Can the semiempirical PM3 scheme describe iron-containing bioinorganic molecules?

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

AM1* parameters for aluminum, silicon, titanium and zirconium.

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Copper and zinc metabolism in health and disease: speciation and interactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

AM1* parameters for phosphorus, sulfur and chlorine

1 reference

https://pubmed.ncbi.nlm.nih.gov/17569997

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

10.1007/S00894-007-0214-7

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

3 August 2017

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