Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives (Q58200151)

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9 February 2020

title

Natural bond orbital analysis: a critical overview of relationships to alternative bonding perspectives (English)

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9 February 2020

1

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9 February 2020

author name string

Frank Weinhold

series ordinal

1

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publication date

27 July 2012

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22837029 AND SRC:MED&resulttype=core&format=json

Journal of Computational Chemistry

9 February 2020

published in

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volume

33

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issue

30

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9 February 2020

page(s)

2363-2379

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9 February 2020

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Wechselwirkung neutraler Atome und hom�opolare Bindung nach der Quantenmechanik

21 January 2018

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The Application of the Quantum Mechanics to the Structure of the Hydrogen Molecule and Hydrogen Molecule-Ion and to Related Problems

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THE NATURE OF THE CHEMICAL BOND. APPLICATION OF RESULTS OBTAINED FROM THE QUANTUM MECHANICS AND FROM A THEORY OF PARAMAGNETIC SUSCEPTIBILITY TO THE STRUCTURE OF MOLECULES

21 January 2018

1 reference

The Nature of the Chemical Bond. V. The Quantum‐Mechanical Calculation of the Resonance Energy of Benzene and Naphthalene and the Hydrocarbon Free Radicals

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The Assignment of Quantum Numbers for Electrons in Molecules. I

21 January 2018

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The electronic structure of some diatomic molecules

21 January 2018

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I.On the constitution of atoms and molecules

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THE ATOM AND THE MOLECULE

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A bonding quandary--or--a demonstration of the fact that scientists are not born with logic

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1 reference

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

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1 reference

Natural bond orbital methods

21 January 2018

1 reference

21 January 2018

1 reference

Resonance Character of Hydrogen‐bonding Interactions in Water and Other H‐bonded Species

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1 reference

What is a hydrogen bond? Mutually consistent theoretical and experimental criteria for characterizing H-bonding interactions

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Signature of n→π* interactions in α-helices

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1 reference

Natural population analysis

21 January 2018

1 reference

Some remarks on nonorthogonal orbitals in quantum chemistry

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Rebuttal to the Bickelhaupt–Baerends Case for Steric Repulsion Causing the Staggered Conformation of Ethane

21 January 2018

1 reference

Valence and extra-valence orbitals in main group and transition metal bonding

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Reaching the maximum multiplicity of the covalent chemical bond

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1 reference

CHEMISTRY: High Bond Orders in Metal-Metal Bonding

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A Conversation on VB vs MO Theory: A Never-Ending Rivalry?

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An Appraisal of Valence-bond Structures and Hybridization in Compounds of the First-row elements.

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Hypercoordinate molecules of second-row elements: d functions or d orbitals?

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The Robinson-Ingold controversy: Precedence in the electronic theory of organic reactions

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"Amide resonance" correlates with a breadth of C-N rotation barriers

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Spectroscopy, Molecular Orbitals, and Chemical Bonding

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Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

21 January 2018

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Bond paths are not chemical bonds

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Definition of molecular structure: by choice or by appeal to observation?

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1 reference

21 January 2018

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Hydrogen-hydrogen bonding in planar biphenyl, predicted by atoms-in-molecules theory, does not exist.

21 January 2018

1 reference

When do interacting atoms form a chemical bond? Spectroscopic measurements and theoretical analyses of dideuteriophenanthrene

21 January 2018

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Physical understanding through variational reasoning: electron sharing and covalent bonding

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1 reference

The Bonding of Trihalide and Bifluoride Ions by the Molecular Orbital Method

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1 reference

What is the covalency of hydrogen bonding?

21 January 2018

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Von der Wirkung zwischen Platinchlorid und Alkohol, und von den dabei entstehenden neuen Substanzen

21 January 2018

1 reference

Hydrogen bonds with pi-acceptors in proteins: frequencies and role in stabilizing local 3D structures

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1 reference

21 January 2018

Identifiers

DOI

10.1002/JCC.23060

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22837029 AND SRC:MED&resulttype=core&format=json

9 February 2020

DBLP publication ID

journals/jcc/Weinhold12

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DBLP Dataset 2021-01-02

28 January 2021

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