, volume 20 , issue 23 , pages 6978-6984

Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine

Yulia V. Nelyubina ¹

Alexander Korlyukov ^{2, 3}

Konstantin A. Lyssenko ¹

Hide authors affiliations Show authors affiliations: 3 affiliations

A.N. Nesmeyanov Institute of Organoelement Compounds, 119991, Vavilova Str., 28, Moscow (Russia), Fax: (+7) 4991355085. |

A.N. Nesmeyanov Institute of Organoelement Compounds, 119991, Vavilova Str., 28, Moscow (Russia), Fax: (+7) 4991355085 |

Pirogov Russian National Research Medical University, 117997, Ostrovitianova Str., 1, Moscow (Russia) |

Publication type: Journal Article

Publication date: 2014-04-15

Wiley

Chemistry - A European Journal

scimago Q1

wos Q2

SJR: 0.981

CiteScore: 6.7

Impact factor: 3.7

ISSN: 09476539, 15213765

DOI: 10.1002/chem.201304551

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PubMed ID: 24737643

General Chemistry

Catalysis

Organic Chemistry

Abstract

A comparative study of chemical bonding peculiarities in 1,2,4,5‐tetrazine was carried out to test the performance of a recently developed invariom approach against a conventional charge density analysis of high‐resolution X‐ray diffraction data and quantum chemical calculations within the plane‐wave functional theory. The amazing similarity between the intermolecular features thus obtained for this van der Waals crystal showed the invariom approximation to now emerge as a fast and convenient way towards reliable description of weak intermolecular interactions.

Found

7 citations

Nelyubina Yulia

🤝

DSc in Chemistry

506 publications, 7 617 citations, 1 review

h-index: 38

A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences

Moscow Institute of Physics and Technology

Metal-organic frameworks

Quantum technologies

Sensors

7 citations

Lyssenko Konstantin

🥼 🤝

DSc in Chemistry, professor

898 publications, 15 196 citations, 2 reviews

h-index: 50

Lomonosov Moscow State University

National Research University Higher School of Economics

Research interests

Supramolecular chemistry

4 citations

Cherkasov Anton

245 publications, 3 672 citations

h-index: 31

G. A. Razuvaev Institute of Organometallic Chemistry of the Russian Academy of Sciences

Research interests

Coordination Chemistry

3 citations

Rumyantcev Roman

PhD in Chemistry

133 publications, 1 010 citations, 21 reviews

h-index: 16

G. A. Razuvaev Institute of Organometallic Chemistry of the Russian Academy of Sciences

3 citations

Baranov Evgeniy

PhD in Chemistry

247 publications, 3 241 citations

h-index: 29

G. A. Razuvaev Institute of Organometallic Chemistry of the Russian Academy of Sciences

Research interests

Crystal Chemistry

Organic Chemistry

Organometallic Chemistry

Quantum Chemistry

X-ray diffraction analysis

2 citations

Ananyev Ivan

DSc in Physics and Mathematics

169 publications, 2 904 citations, 19 reviews

h-index: 30

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences

National Research University Higher School of Economics

1 citation

Medvedev Michael

PhD in Physics and Mathematics, associate professor

85 publications, 2 083 citations, 7 reviews

h-index: 19

N.D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences

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Nelyubina Y. V. et al. Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine // Chemistry - A European Journal. 2014. Vol. 20. No. 23. pp. 6978-6984.

GOST all authors (up to 50) Copy

Nelyubina Y. V., Korlyukov A., Lyssenko K. A. Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine // Chemistry - A European Journal. 2014. Vol. 20. No. 23. pp. 6978-6984.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1002/chem.201304551

UR - https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.201304551

TI - Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine

T2 - Chemistry - A European Journal

AU - Nelyubina, Yulia V.

AU - Korlyukov, Alexander

AU - Lyssenko, Konstantin A.

PY - 2014

DA - 2014/04/15

PB - Wiley

SP - 6978-6984

IS - 23

VL - 20

PMID - 24737643

SN - 0947-6539

SN - 1521-3765

ER -

BibTex |

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BibTex (up to 50 authors) Copy

@article{2014_Nelyubina,

author = {Yulia V. Nelyubina and Alexander Korlyukov and Konstantin A. Lyssenko},

title = {Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine},

journal = {Chemistry - A European Journal},

year = {2014},

volume = {20},

publisher = {Wiley},

month = {apr},

url = {https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.201304551},

number = {23},

pages = {6978--6984},

doi = {10.1002/chem.201304551}

}

MLA

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MLA Copy

Nelyubina, Yulia V., et al. “Probing Weak Intermolecular Interactions by Using the Invariom Approach: A Comparative Study ofs‐Tetrazine.” Chemistry - A European Journal, vol. 20, no. 23, Apr. 2014, pp. 6978-6984. https://chemistry-europe.onlinelibrary.wiley.com/doi/10.1002/chem.201304551.

Publisher

Wiley

Journal

Chemistry - A European Journal

scimago Q1

wos Q2

SJR

0.981

CiteScore

6.7

Impact factor

3.7

ISSN

09476539 (Print)

15213765 (Electronic)

Labs

Molecular Structure Research Center

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