Works matching DE "BOND order (Chemistry)"

Results: 28

A Family of Multiply Bonded Dimolybdenum Boraamidinates with the Formal Mo−Mo Bond Orders of 3, 4, 4.5, and 5.

Published in:

Angewandte Chemie, 2016, v. 128, n. 38, p. 11786, doi. 10.1002/ange.201605543

By:

Lu, Duan ‐ Yen;
Kuo, Ting ‐ Shen;
Tsai, Yi ‐ Chou

Publication type:

Article

Triamidoamine-Uranium(IV)-Stabilized Terminal Parent Phosphide and Phosphinidene Complexes.

Published in:

Angewandte Chemie, 2014, v. 126, n. 17, p. 4573, doi. 10.1002/ange.201400798

By:

Gardner, Benedict M.;
Balázs, Gábor;
Scheer, Manfred;
Tuna, Floriana;
McInnes, Eric J. L.;
McMaster, Jonathan;
Lewis, William;
Blake, Alexander J.;
Liddle, Stephen T.

Publication type:

Article

Automated simultaneous assignment of bond orders and formal charges.

Published in:

Journal of Cheminformatics, 2019, v. 11, n. 1, p. 1, doi. 10.1186/s13321-019-0340-0

By:

Welsh, Ivan D.;
Allison, Jane R.

Publication type:

Article

Quantum Phase Diagram of One-Dimensional Spin and Hubbard Models with Transitions to Bond Order Wave Phases.

Published in:

Croatica Chemica Acta, 2013, v. 86, n. 4, p. 407, doi. 10.5562/cca2324

By:

Kumar, Manoranjan;
Ramasesha, S.;
Soos, Zoltán G.

Publication type:

Article

A Position-Space View on Chemical Bonding in Metal Diborides with AlB2 Type of Crystal Structure.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2013, v. 639, n. 11, p. 2025, doi. 10.1002/zaac.201200523

By:

Wagner, Frank R.;
Baranov, Alexey I.;
Grin, Yuri;
Kohout, Miroslav

Publication type:

Article

The Chemical Bond in C2.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4100, doi. 10.1002/chem.201503762

By:

Hermann, Markus;
Frenking, Gernot

Publication type:

Article

The Bond Order of C2 from a Strictly N-Representable Natural Orbital Energy Functional Perspective.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4109, doi. 10.1002/chem.201504491

By:

Piris, Mario;
Lopez, Xabier;
Ugalde, Jesus M.

Publication type:

Article

The Quadruple Bonding in C2 Reproduces the Properties of the Molecule.

Published in:

Chemistry - A European Journal, 2016, v. 22, n. 12, p. 4116, doi. 10.1002/chem.201600011

By:

Shaik, Sason;
Danovich, David;
Braida, Benoit;
Hiberty, Philippe C.

Publication type:

Article

Hybrid [5]Radialenes with Bispyrroloheteroles: New Electron-Donating Units.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 38, p. 13375, doi. 10.1002/chem.201501822

By:

Higashino, Tomohiro;
Imahori, Hiroshi

Publication type:

Article

Factors Influencing the Regioselectivity of the Oxidation of Asymmetric Secondary Amines with Singlet Oxygen.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 17, p. 6528, doi. 10.1002/chem.201500121

By:

Ushakov , Dmitry B.;
Plutschack , Matthew B.;
Gilmore, Kerry;
Seeberger , Peter H.

Publication type:

Article

Bond Order Analysis, Packing Ratio, and Electronic Structures of Two Structural Polymorphs Based on Manganese Complexes.

Published in:

Chinese Journal of Chemistry, 2017, v. 35, n. 6, p. 927, doi. 10.1002/cjoc.201600747

By:

Chen, Xue-Li;
Zhang, Yuexing;
Zhang, Ming-Yuan;
Zeng, Ming-Hua

Publication type:

Article

SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 8, p. 1, doi. 10.1007/s00894-018-3721-9

By:

Huang, Ying;
Liu, Lianghong;
Rong, Chunying;
Lu, Tian;
Ayers, Paul W.;
Liu, Shubin

Publication type:

Article

Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 5, p. 1, doi. 10.1007/s00894-014-2219-3

By:

Woi, Pei;
Bakar, Maizathul;
Rosli, Ahmad;
Lee, Vannajan;
Ahmad, Mohd;
Md Zain, Sharifuddin;
Alias, Yatimah

Publication type:

Article

Breakdown of universal Lindemann criterion in the melting of Lennard-Jones polydisperse solids.

Published in:

Journal of Chemical Sciences, 2017, v. 129, n. 7, p. 833, doi. 10.1007/s12039-017-1245-y

By:

SARKAR, SARMISTHA;
JANA, CHANDRAMOHAN;
BAGCHI, BIMAN

Publication type:

Article

Molecular mechanics-based finite element analysis of graphene sheet and carbon nanotubes using the rebo potential.

Published in:

International Journal of Modeling, Simulation & Scientific Computing, 2017, v. 8, n. 3, p. -1, doi. 10.1142/S1793962317500386

By:

Tserpes, Konstantinos;
Koumpias, Antonis

Publication type:

Article

A Decade of Dinuclear Technetium Complexes with Multiple Metal-Metal Bonds.

Published in:

European Journal of Inorganic Chemistry, 2014, v. 2014, n. 27, p. 4484, doi. 10.1002/ejic.201402340

By:

Poineau, Frederic;
Forster, Paul M.;
Todorova, Tanya K.;
Johnstone, Erik V.;
Kerlin, William M.;
Gagliardi, Laura;
Czerwinski, Kenneth R.;
Sattelberger, Alfred P.

Publication type:

Article

Bond order redefinition needed to reduce inherent noise in molecular dynamics simulations.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-020-80217-0

By:

Syuhada, Ibnu;
Hauwali, Nikodemus Umbu Janga;
Rosikhin, Ahmad;
Sustini, Euis;
Noor, Fatimah Arofiati;
Winata, Toto

Publication type:

Article

AIM analysis and the form of the bond-valence equation.

Published in:

American Mineralogist, 2015, v. 100, n. 1, p. 160, doi. 10.2138/am-2015-5037

By:

WANDER, MATTHEW C. F.;
BICKMORE, BARRY R.;
LIND, LARISSA;
ANDROS, CHARLES;
HUNT, JOHN;
CHECKETTS, HANNAH;
GOODELL, TYLER

Publication type:

Article

Bond Order Indices of Iodine: From Molecular Complexes to Crystals.

Published in:

Journal of Structural Chemistry, 2018, v. 59, n. 8, p. 1903, doi. 10.1134/S002247661808019X

By:

Mukhitdinova, S. E.;
Bartashevich, E. V.;
Tsirelson, V. G.

Publication type:

Article

Comprehensive definition of oxidation state (IUPAC Recommendations 2016).

Published in:

Pure & Applied Chemistry, 2016, v. 88, n. 8, p. 831, doi. 10.1515/pac-2015-1204

By:

Karen, Pavel;
McArdle, Patrick;
Takats, Josef

Publication type:

Article

Reactive Molecular Dynamics Simulations of Sodium Silicate Glasses - Toward an Improved Understanding of the Structure.

Published in:

International Journal of Applied Glass Science, 2017, v. 8, n. 3, p. 276, doi. 10.1111/ijag.12248

By:

Yu, Yingtian;
Wang, Bu;
Wang, Mengyi;
Sant, Gaurav;
Bauchy, Mathieu

Publication type:

Article

Donor-Stabilized 1,3-Disila-2,4-diazacyclobutadiene with a Nonbonded Si⋅⋅⋅Si Distance Compressed to a Si=Si Double Bond Length.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 47, p. 14673, doi. 10.1002/anie.201608416

By:

Gau, David;
Nougué, Raphael;
Saffon‐Merceron, Nathalie;
Baceiredo, Antoine;
De Cózar, Abel;
Cossío, Fernando P.;
Hashizume, Daisuke;
Kato, Tsuyoshi

Publication type:

Article

Molecular Polyarsenides of the Rare-Earth Elements.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 4, p. 1557, doi. 10.1002/anie.201509749

By:

Arleth, Nicholas;
Gamer, Michael T.;
Köppe, Ralf;
Konchenko, Sergey N.;
Fleischmann, Martin;
Scheer, Manfred;
Roesky, Peter W.

Publication type:

Article

Linear Response Function of Bond-Order.

Published in:

International Journal of Molecular Sciences, 2016, v. 17, n. 11, p. 1779, doi. 10.3390/ijms17111779

By:

Nayuta Suzuki;
Yuki Mitsuta;
Mitsutaka Okumura;
Shusuke Yamanaka

Publication type:

Article

Gas-phase reaction of ClO− with CH nCl4- n ( n = 0, 1, 2, 3) and CX3H (X = F, Cl and Br): Substituent effect from a comparative study.

Published in:

Canadian Journal of Chemistry, 2014, v. 92, n. 9, p. 868, doi. 10.1139/cjc-2014-0245

By:

Junxi, Liang;
Qiong, Su;
Yu, Li;
Qiang, Zhang;
Zhiyuan, Geng

Publication type:

Article

Exploration of the α-effect by substitution on hydroxylamine anions. I. Effects of alkyl- and fluoroalkylation.

Published in:

Canadian Journal of Chemistry, 2014, v. 92, n. 4, p. 346, doi. 10.1139/cjc-2013-0246

By:

Afzal, D.;
Fountain, K.R.

Publication type:

Article

ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C60 FULLERENES WITH PENTYLAMINE.

Published in:

Anadolu University of Sciences & Technology A: Applied Sciences & Engineering, 2017, v. 18, n. 2, p. 398, doi. 10.18038/aubtda.281646

By:

BİLGE, Metin

Publication type:

Article

TENSILE STRENGTH OF GRAPHENE CONTAINING 5-8-5 DEFECTS.

Published in:

Reviews on Advanced Materials Science, 2014, v. 37, n. 1/2, p. 105

By:

Kochnev, A. S.;
Ovid'ko, I. A.;
Semenov, B. N.

Publication type:

Article

Works matching DE "BOND order (Chemistry)"

A Family of Multiply Bonded Dimolybdenum Boraamidinates with the Formal Mo−Mo Bond Orders of 3, 4, 4.5, and 5.

Triamidoamine-Uranium(IV)-Stabilized Terminal Parent Phosphide and Phosphinidene Complexes.

Automated simultaneous assignment of bond orders and formal charges.

Quantum Phase Diagram of One-Dimensional Spin and Hubbard Models with Transitions to Bond Order Wave Phases.

A Position-Space View on Chemical Bonding in Metal Diborides with AlB<sub>2</sub> Type of Crystal Structure.

The Chemical Bond in C<sub>2</sub>.

The Bond Order of C<sub>2</sub> from a Strictly N-Representable Natural Orbital Energy Functional Perspective.

The Quadruple Bonding in C<sub>2</sub> Reproduces the Properties of the Molecule.

Hybrid [5]Radialenes with Bispyrroloheteroles: New Electron-Donating Units.

Factors Influencing the Regioselectivity of the Oxidation of Asymmetric Secondary Amines with Singlet Oxygen.

Bond Order Analysis, Packing Ratio, and Electronic Structures of Two Structural Polymorphs Based on Manganese Complexes.

SCI: a robust and reliable density-based descriptor to determine multiple covalent bond orders.

Does cation break the cyano bond? A critical evaluation of nitrile-cation interaction.

Breakdown of universal Lindemann criterion in the melting of Lennard-Jones polydisperse solids.

Molecular mechanics-based finite element analysis of graphene sheet and carbon nanotubes using the rebo potential.

A Decade of Dinuclear Technetium Complexes with Multiple Metal-Metal Bonds.

Bond order redefinition needed to reduce inherent noise in molecular dynamics simulations.

AIM analysis and the form of the bond-valence equation.

Bond Order Indices of Iodine: From Molecular Complexes to Crystals.

Comprehensive definition of oxidation state (IUPAC Recommendations 2016).

Reactive Molecular Dynamics Simulations of Sodium Silicate Glasses - Toward an Improved Understanding of the Structure.

Donor-Stabilized 1,3-Disila-2,4-diazacyclobutadiene with a Nonbonded Si⋅⋅⋅Si Distance Compressed to a Si=Si Double Bond Length.

Molecular Polyarsenides of the Rare-Earth Elements.

Linear Response Function of Bond-Order.

Gas-phase reaction of ClO<sup>−</sup> with CH<sub> n</sub>Cl<sub>4-</sub><sub> n</sub> ( n = 0, 1, 2, 3) and CX<sub>3</sub>H (X = F, Cl and Br): Substituent effect from a comparative study.

Exploration of the α-effect by substitution on hydroxylamine anions. I. Effects of alkyl- and fluoroalkylation.

ADSORPTION MECHANISM AND STRUCTURAL INVESTIGATION OF DOPED C<sub>60</sub> FULLERENES WITH PENTYLAMINE.

TENSILE STRENGTH OF GRAPHENE CONTAINING 5-8-5 DEFECTS.