A new parametrizable model of molecular electronic structure.

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Enhanced semiempirical QM methods for biomolecular interactions.Comment on "A new parametrizable model of molecular electronic structure" [J. Chem. Phys. 135, 134120 (2011)].Investigation of structural mimetics of natural phosphate ion binding motifs.

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P2860

A new parametrizable model of molecular electronic structure.

Item

http://www.wikidata.org/entity/Q51521562

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2011 nî lūn-bûn

@nan

2011年の論文

@ja

2011年学术文章

@wuu

2011年学术文章

@zh

2011年学术文章

@zh-cn

2011年学术文章

@zh-hans

2011年学术文章

@zh-my

2011年学术文章

@zh-sg

2011年學術文章

@yue

2011年學術文章

@zh-hant

name

A new parametrizable model of molecular electronic structure.

@en

A new parametrizable model of molecular electronic structure.

@nl

type

Item

label

A new parametrizable model of molecular electronic structure.

@en

A new parametrizable model of molecular electronic structure.

@nl

prefLabel

A new parametrizable model of molecular electronic structure.

@en

A new parametrizable model of molecular electronic structure.

@nl

P1476

A new parametrizable model of molecular electronic structure.

@en

P2093

Dimitri N Laikov

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P2860

Unified Approach for Molecular Dynamics and Density-Functional Theory

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films

Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the B H 3 Molecule

Density-functional exchange-energy approximation with correct asymptotic behavior

Inhomogeneous Electron Gas

Note on an Approximation Treatment for Many-Electron Systems

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

Generalized Gradient Approximation Made Simple

Self-Consistent Equations Including Exchange and Correlation Effects

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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134120

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scholarly article

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10.1063/1.3646498

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English

P433

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P478

135

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P577

2011-10-01T00:00:00Z

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P5875

51712774

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21992295

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P818

1106.4793

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A new parametrizable model of molecular electronic structure.

about

P2860

P2860

A new parametrizable model of molecular electronic structure.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698

P818

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P5875

P698

P818