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1-20 of 94 results in Computational Methods

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Abinitio and Semiempirical Methods
Serge I. Gorelsky,

First published: 15 December 2011
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Ab Initio Calculations
First published: 15 December 2011
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Actinides: Computational Chemistry
Michael Dolg, Xiaoyan Cao,

First published: 14 September 2018
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Angular Overlap Model
First published: 15 December 2011
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Antibonding
First published: 15 December 2011
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Approximate Density Functionals: Which Should I Choose?
Dmitrij Rappoport, Nathan R. M. Crawford, Filipp Furche, Kieron Burke,

First published: 15 December 2011
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Atomization Enthalpy of Metals
First published: 15 December 2011
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Back Bonding
First published: 15 December 2011
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Band Gap
First published: 15 December 2011
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BCS Theory
First published: 15 December 2011
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Bond Valence Method
First published: 15 December 2011
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Broken Symmetry States of Iron—Sulfur Clusters
Louis Noodleman, David A. Case,

First published: 15 December 2011
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Calculation of Bonding Properties
Gernot Frenking, Moritz von Hopffgarten,

First published: 15 December 2011
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Calculation of Reduction Potential and pK_a
Jan H. Jensen, Hui Li,

First published: 15 December 2011
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Charge Carrier
First published: 15 December 2011
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Charge Density Wave
First published: 15 December 2011
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CNDO Calculations
First published: 15 December 2011
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Combined Density Functional Theory (DFT) and Electrostatics Study of the Proton Pumping Mechanism in Cytochrome C Oxidase
Jason Quenneville, Dragan M. Popović, Alexei A. Stuchebrukhov,

First published: 15 December 2011
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Computational Methods: Heteropolyoxoanions
Josep M. Poblet, Xavier López,

First published: 15 December 2011
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Computational Methods: Lanthanides and Actinides
M. Dolg, X. Cao,

First published: 15 December 2011

Encyclopedia of Inorganic and Bioinorganic Chemistry

Browse by topic

no

Abinitio and Semiempirical Methods

no

Ab Initio Calculations

no

Actinides: Computational Chemistry

no

Angular Overlap Model

no

Antibonding

no

Approximate Density Functionals: Which Should I Choose?

no

Atomization Enthalpy of Metals

no

Back Bonding

no

Band Gap

no

BCS Theory

no

Bond Valence Method

no

Broken Symmetry States of Iron—Sulfur Clusters

no

Calculation of Bonding Properties

no

Calculation of Reduction Potential and pK_a

no

Charge Carrier

no

Charge Density Wave

no

CNDO Calculations

no

Combined Density Functional Theory (DFT) and Electrostatics Study of the Proton Pumping Mechanism in Cytochrome C Oxidase

no

Computational Methods: Heteropolyoxoanions

no

Computational Methods: Lanthanides and Actinides

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Encyclopedia of Inorganic and Bioinorganic Chemistry

Browse by topic

Author

no Abinitio and Semiempirical Methods

no Ab Initio Calculations

no Actinides: Computational Chemistry

no Angular Overlap Model

no Antibonding

no Approximate Density Functionals: Which Should I Choose?

no Atomization Enthalpy of Metals

no Back Bonding

no Band Gap

no BCS Theory

no Bond Valence Method

no Broken Symmetry States of Iron—Sulfur Clusters

no Calculation of Bonding Properties

no Calculation of Reduction Potential and pKa

no Charge Carrier

no Charge Density Wave

no CNDO Calculations

no Combined Density Functional Theory (DFT) and Electrostatics Study of the Proton Pumping Mechanism in Cytochrome C Oxidase

no Computational Methods: Heteropolyoxoanions

no Computational Methods: Lanthanides and Actinides

no

Abinitio and Semiempirical Methods

no

Ab Initio Calculations

no

Actinides: Computational Chemistry

no

Angular Overlap Model

no

Antibonding

no

Approximate Density Functionals: Which Should I Choose?

no

Atomization Enthalpy of Metals

no

Back Bonding

no

Band Gap

no

BCS Theory

no

Bond Valence Method

no

Broken Symmetry States of Iron—Sulfur Clusters

no

Calculation of Bonding Properties

no

Calculation of Reduction Potential and pK_a

no

Charge Carrier

no

Charge Density Wave

no

CNDO Calculations

no

Combined Density Functional Theory (DFT) and Electrostatics Study of the Proton Pumping Mechanism in Cytochrome C Oxidase

no

Computational Methods: Heteropolyoxoanions

no

Computational Methods: Lanthanides and Actinides