Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy. - Wikidata - awgldk - TriplyDB

Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

http://www.wikidata.org/entity/Q37644141

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Asn47 and Phe114 modulate the inner sphere reorganization energies of type zero copper proteins.Phenol-Induced O-O Bond Cleavage in a Low-Spin Heme-Peroxo-Copper Complex: Implications for O2 Reduction in Heme-Copper Oxidases.

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Assessment of Quantum Mechanical Methods for Copper and Iron Complexes by Photoelectron Spectroscopy.

http://www.wikidata.org/entity/Q37644141

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article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on 22 January 2014

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vedecký článok

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vetenskaplig artikel

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videnskabelig artikel

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vědecký článek

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name

Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

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Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

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type

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Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

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Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

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prefLabel

Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

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Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

@nl

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Journal of Chemical Theory and Computation

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Assessment of Quantum Mechanic ...... by Photoelectron Spectroscopy.

@en

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Dao-Ling Huang

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Hong-Tao Liu

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Lai-Sheng Wang

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Phuong D Dau

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Shuqiang Niu

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Toshiko Ichiye

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P2860

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions

Range separation and local hybridization in density functional theory

Systematic optimization of long-range corrected hybrid density functionals

Copper coordination in blue proteins.

Tuned range-separated hybrids in density functional theory.

Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals.

Advances in methods and algorithms in a modern quantum chemistry program package.

Synthetic analogues of the active sites of iron-sulfur proteins.

Spectroscopic and DFT studies of second-sphere variants of the type 1 copper site in azurin: covalent and nonlocal electrostatic contributions to reduction potentials.

Calculating standard reduction potentials of [4Fe-4S] proteins.

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1283-1291

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scholarly article

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10.1021/CT400842P

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3

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2014-01-22T00:00:00Z

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24803858

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