(Q29542571)

22 April 2017

author name string

James J. P. Stewart

series ordinal

1

1 reference

22 April 2017

publication date

9 September 2007

1 reference

Journal of Molecular Modeling

22 April 2017

published in

1 reference

22 April 2017

volume

13

1 reference

22 April 2017

issue

12

1 reference

22 April 2017

page(s)

1173-1213

1 reference

RM1: a reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I

22 April 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

Optimization of parameters for semiempirical methods IV: extension of MNDO, AM1, and PM3 to more main group elements

22 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

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

22 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

The Cambridge Structural Database: a quarter of a million crystal structures and rising

22 April 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

22 April 2017

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

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

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

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

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

Specific parametrisation of a hybrid potential to simulate reactions in phosphatases.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

Comparison of the accuracy of semiempirical and some DFT methods for predicting heats of formation

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2039871

Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17828561

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17828561

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A Semiempirical Quantum Model for Hydrogen-Bonded Nucleic Acid Base Pairs.

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/17828561

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S00894-007-0233-4

2 references

22 April 2017

Dimensions Publication ID

1021294303

0 references

1 reference

1 reference

PubMed publication ID

17828561

1 reference