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Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules
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Assessment of two hybrid van der Waals density functionals for covalent and non-covalent binding of molecules

Berland, Kristian ; Jiao, Yang ; Lee, Jung-Hoon ; Rangel, Tonatiuh ; Neaton, Jeffrey B. ; Hyldgaard, Per

The Journal of chemical physics, 2017-06, Vol.146 (23), p.234106-234106 [Periódico revisado por pares]

United States: American Institute of Physics

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2
An Embedded Fragment Method for Molecules in Strong Magnetic Fields
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An Embedded Fragment Method for Molecules in Strong Magnetic Fields

Speake, Benjamin T. ; Irons, Tom J. P. ; Wibowo, Meilani ; Johnson, Andrew G. ; David, Grégoire ; Teale, Andrew M.

Journal of chemical theory and computation, 2022-12, Vol.18 (12), p.7412-7427 [Periódico revisado por pares]

United States: American Chemical Society

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3
The discovery of hydrogen bonds in DNA and a re-evaluation of the 1948 Creeth two-chain model for its structure
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The discovery of hydrogen bonds in DNA and a re-evaluation of the 1948 Creeth two-chain model for its structure

Harding, Stephen E ; Channell, Guy ; Phillips-Jones, Mary K

Biochemical Society transactions, 2018-10, Vol.46 (5), p.1171-1182 [Periódico revisado por pares]

England: Portland Press

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4
Specificity of Escherichia coli Heat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography
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Specificity of Escherichia coli Heat-Labile Enterotoxin Investigated by Single-Site Mutagenesis and Crystallography

Heggelund, Julie Elisabeth ; Heim, Joel Benjamin ; Bajc, Gregor ; Hodnik, Vesna ; Anderluh, Gregor ; Krengel, Ute

International journal of molecular sciences, 2019-02, Vol.20 (3), p.703 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Stability and Solid Solutions of Hydrous Alumino-Silicates in the Earth’s Mantle
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Stability and Solid Solutions of Hydrous Alumino-Silicates in the Earth’s Mantle

Panero, Wendy R. ; Caracas, Razvan

Minerals (Basel), 2020-04, Vol.10 (4), p.330 [Periódico revisado por pares]

Basel: MDPI AG

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6
Spectroscopic studies of the iron and manganese reconstituted tyrosyl radical in Bacillus cereus ribonucleotide reductase R2 protein
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Spectroscopic studies of the iron and manganese reconstituted tyrosyl radical in Bacillus cereus ribonucleotide reductase R2 protein

Tomter, Ane B ; Zoppellaro, Giorgio ; Bell, 3rd, Caleb B ; Barra, Anne-Laure ; Andersen, Niels H ; Solomon, Edward I ; Andersson, K Kristoffer Croft, Anna Kristina

PloS one, 2012-03, Vol.7 (3), p.e33436-e33436 [Periódico revisado por pares]

United States: Public Library of Science

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7
Tuning of thioredoxin redox properties by intramolecular hydrogen bonds
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Tuning of thioredoxin redox properties by intramolecular hydrogen bonds

Røhr, Åsmund Kjendseth ; Hammerstad, Marta ; Andersson, K Kristoffer Salsbury, Freddie

PloS one, 2013-07, Vol.8 (7), p.e69411-e69411 [Periódico revisado por pares]

United States: Public Library of Science

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8
Symmetry of three-center, four-electron bonds
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Symmetry of three-center, four-electron bonds

Reiersølmoen, Ann Christin ; Battaglia, Stefano ; Øien-Ødegaard, Sigurd ; Gupta, Arvind Kumar ; Fiksdahl, Anne ; Lindh, Roland ; Erdélyi, Máté

Chemical science (Cambridge), 2020, Vol.11 (3), p.7979-799 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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