(Q45097679)

English

Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study

scientific article published in October 2004

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scholarly article

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Europe PubMed Central

PubMed publication ID

9 December 2017

Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study (English)

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Europe PubMed Central

PubMed publication ID

9 December 2017

1

1 reference

Europe PubMed Central

PubMed publication ID

9 December 2017

Vincenzo Barone

3

object named as

Vincenzo Barone

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Europe PubMed Central

PubMed publication ID

9 December 2017

author name string

Carlo Adamo

2

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Europe PubMed Central

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9 December 2017

language of work or name

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publication date

1 October 2004

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Europe PubMed Central

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9 December 2017

Journal of Chemical Physics

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9 December 2017

121

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Europe PubMed Central

PubMed publication ID

9 December 2017

14

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Europe PubMed Central

PubMed publication ID

9 December 2017

6710-6718

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Europe PubMed Central

PubMed publication ID

9 December 2017

Radical initiation in the class I ribonucleotide reductase: long-range proton-coupled electron transfer?

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

The free radical in pyruvate formate-lyase is located on glycine-734

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

p-Hydroxyphenylacetate decarboxylase from Clostridium difficile. A novel glycyl radical enzyme catalysing the formation of p-cresol

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Very high-field EPR study of glycyl radical enzymes

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

A new mixing of Hartree–Fock and local density‐functional theories

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Generalized Gradient Approximation Made Simple

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Density-functional thermochemistry. III. The role of exact exchange

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

An ESR study of the acid dissociation of imidogen protons. 1. Linear peptide radicals and related radicals

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Density functional calculations of electronic g-tensors for semiquinone radical anions. The role of hydrogen bonding and substituent effects

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

A new parametrization of exchange–correlation generalized gradient approximation functionals

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

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

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Intrinsic and Environmental Effects in the Structure and Magnetic Properties of Glycine Radical in Aqueous Solution

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Structure and Magnetic Properties of Glycine Radical in Aqueous Solution at Different pH Values

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Accurate and effective calculation of amide proton magnetic shieldings in a calcium binding peptide

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Configuration interaction calculation of electronicg tensors in transition metal complexes

1 reference

https://api.crossref.org/works/10.1063%2F1.1791031

21 January 2018

Identifiers

10.1063/1.1791031

1 reference

Europe PubMed Central

PubMed publication ID

9 December 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

9 December 2017

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