Works about NONBONDING electron pairs

Results: 144

Lone-Pair⋅⋅⋅π Interaction: A Rotational Study of the Chlorotrifluoroethylene-Water Adduct.

Published in:

Angewandte Chemie, 2013, v. 125, n. 45, p. 12104, doi. 10.1002/ange.201306827

By:

Gou, Qian;
Feng, Gang;
Evangelisti, Luca;
Caminati, Walther

Publication type:

Article

The Enabling Electronic Motif for Topological Insulation in ABO3 Perovskites.

Published in:

Advanced Functional Materials, 2017, v. 27, n. 37, p. n/a, doi. 10.1002/adfm.201701266

By:

Zhang, Xiuwen;
Abdalla, Leonardo B.;
Liu, Qihang;
Zunger, Alex

Publication type:

Article

Thermoelectrics: From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13 Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely (Adv. Funct. Mater. 24/2015).

Published in:

Advanced Functional Materials, 2015, v. 25, n. 24, p. 3618, doi. 10.1002/adfm.201570159

By:

Lai, Wei;
Wang, Yuxing;
Morelli, Donald T.;
Lu, Xu

Publication type:

Article

From Bonding Asymmetry to Anharmonic Rattling in Cu12Sb4S13 Tetrahedrites: When Lone-Pair Electrons Are Not So Lonely.

Published in:

Advanced Functional Materials, 2015, v. 25, n. 24, p. 3648, doi. 10.1002/adfm.201500766

By:

Lai, Wei;
Wang, Yuxing;
Morelli, Donald T.;
Lu, Xu

Publication type:

Article

Characterization and theoretical studies of synthesized (E)-2((3-methylbenzilidene) amino) phenol complexes for the fabrication of novel electrochemical sensor for determination of Pb2+ and Hg2+ ions.

Published in:

Journal of Materials Science: Materials in Electronics, 2019, v. 30, n. 14, p. 13347, doi. 10.1007/s10854-019-01702-5

By:

Rezaei, Arash;
Abbasi Tarighat, Maryam;
Mohammadi, Khosro

Publication type:

Article

An ab initio study of some hydrogen-bonded complexes of chloroform and bromoform: red-shifted or blue-shifted hydrogen bonds?

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02625-9

By:

Ramasami, Ponnadurai;
Ford, Thomas A.

Publication type:

Article

2‐Halo Glycals as "Synthon" for 2‐C‐Branched Sugar: Recent Advances and Applications in Organic Synthesis.

Published in:

Asian Journal of Organic Chemistry, 2020, v. 9, n. 6, p. 882, doi. 10.1002/ajoc.202000195

By:

Hussain, Nazar;
Ahmed, Ajaz;
Mukherjee, Debaraj

Publication type:

Article

Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties.

Published in:

Research on Chemical Intermediates, 2020, v. 46, n. 1, p. 961, doi. 10.1007/s11164-019-04020-x

By:

Serdaroğlu, Goncagül

Publication type:

Article

The Role of Lone‐Pair Electrons in Pt–N Interactions for the Oxygen Reduction Reaction in Polymer Exchange Membrane Fuel Cells.

Published in:

ChemSusChem, 2020, v. 13, n. 7, p. 1751, doi. 10.1002/cssc.201903403

By:

Ham, Kahyun;
Shin, Dongyoon;
Lee, Jaeyoung

Publication type:

Article

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 10, p. 1, doi. 10.1007/s00894-020-04546-7

By:

Al-Otaibi, Jamelah S.;
Almuqrin, Aljawhara H.;
Mary, Y. Sheena;
Mary, Y. Shyma;
Alsenoy, C. Van

Publication type:

Article

A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04393-6

By:

Rajendran, Niranjana Devi;
Mookan, Natarajan;
Samuel, Israel;
Mookan, Sarath Babu;
Munusamy, Govindarajan;
Gurudeeban, Selvaraj;
Kaliamurthi, Satyavani

Publication type:

Article

Towards an unified chemical model of secondary bonding.

Published in:

Journal of Molecular Modeling, 2020, v. 26, n. 3, p. 1, doi. 10.1007/s00894-019-4283-1

By:

Silvi, Bernard;
Alikhani, Esmaïl;
Ratajczak, Henryk

Publication type:

Article

Strategy for chemically riveting catenated nitrogen chains.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 12, p. 1, doi. 10.1007/s00894-019-4228-8

By:

Wei, Xianfeng;
Wang, Ruihao;
Liu, Min

Publication type:

Article

Triel bonds in RZH2···NH3: hybridization, solvation, and substitution.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 8, p. N.PAG, doi. 10.1007/s00894-019-4089-1

By:

Xu, Zhefeng;
Li, Yan

Publication type:

Article

On the ability of pnicogen atoms to engage in both σ and π-hole complexes. Heterodimers of ZF2C6H5 (Z = P, As, Sb, Bi) and NH3.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 6, p. N.PAG, doi. 10.1007/s00894-019-4031-6

By:

Zierkiewicz, Wiktor;
Michalczyk, Mariusz;
Wysokiński, Rafał;
Scheiner, Steve

Publication type:

Article

σ-Holes and Si···N intramolecular interactions.

Published in:

Journal of Molecular Modeling, 2019, v. 25, n. 4, p. N.PAG, doi. 10.1007/s00894-019-3962-2

By:

Murray, Jane S.;
Politzer, Peter

Publication type:

Article

Cu(I) Complexes of Multidentate N,C,N- and P,C,P-Carbodiphosphorane Ligands and Their Photoluminescence.

Published in:

Molecules, 2020, v. 25, n. 17, p. 3990, doi. 10.3390/molecules25173990

By:

Klein, Marius;
Demirel, Nemrud;
Schinabeck, Alexander;
Yersin, Hartmut;
Sundermeyer, Jörg;
Canac, Yves

Publication type:

Article

Structure and Stability of Aromatic Nitrogen Heterocycles Used in the Field of Energetic Materials.

Published in:

Molecules, 2020, v. 25, n. 14, p. 3232, doi. 10.3390/molecules25143232

By:

Zong, He-Hou;
Yao, Chuang;
Sun, Chang Q;
Zhang, Jian-Guo;
Zhang, Lei;
Zeman, Svatopluk;
Navalon, Sergio

Publication type:

Article

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds.

Published in:

Molecules, 2020, v. 25, n. 4, p. 798, doi. 10.3390/molecules25040798

By:

Iribarren, Iñigo;
Sánchez-Sanz, Goar;
Trujillo, Cristina;
Costa, Paulo Jorge

Publication type:

Article

Tetrel Interactions from an Interacting Quantum Atoms Perspective.

Published in:

Molecules, 2019, v. 24, n. 12, p. 2204, doi. 10.3390/molecules24122204

By:

Casals-Sainz, José Luis;
Costales Castro, Aurora;
Francisco, Evelio;
Martín Pendás, Ángel

Publication type:

Article

Cover Feature: Controlling the Supramolecular Polymerization of Donor‐Acceptor π‐Systems through Hydrogen Bond Intervention (ChemPlusChem 9/2019).

Published in:

ChemPlusChem, 2019, v. 84, n. 9, p. 1174, doi. 10.1002/cplu.201900426

By:

Nair, Vishnu Sukumaran;
Vedhanarayanan, Balaraman;
Ajayaghosh, Ayyappanpillai

Publication type:

Article

Lone pair-π interactions in biological systems: occurrence, function, and physical origin.

Published in:

European Biophysics Journal, 2017, v. 46, n. 8, p. 729, doi. 10.1007/s00249-017-1210-1

By:

Kozelka, Jiří

Publication type:

Article

STUDY OF AGGREGATION BEHAVIOR AND ELECTRON INJECTION PROCESS OF THIOL SUBSTITUTED Zn- PHTHALOCYANINE DERIVATIVE ON TIO2 NANOPARTICLE SURFACE.

Published in:

Rasayan Journal of Chemistry, 2019, v. 12, n. 2, p. 571, doi. 10.31788/RJC.2019.1225003

By:

Gnanam, S.;
Ashokkumar, R.;
Udhayashankar, C.;
Karthikeyan, S.;
Dhinagaran, G.;
Venkatachalam, K.

Publication type:

Article

Nucleobases Having M–C Bonds: An Emerging Bio‐Organometallic Field.

Published in:

European Journal of Organic Chemistry, 2018, v. 2018, n. 14, p. 1617, doi. 10.1002/ejoc.201800135

By:

Collado, Alba;
Gómez‐Gallego, Mar;
Sierra, Miguel A.

Publication type:

Article

Visible light induced reactions of quinones.

Published in:

Bulletin of the Korean Chemical Society, 2024, v. 45, n. 12, p. 966, doi. 10.1002/bkcs.12913

By:

Jang, Jihoon;
Lee, Gayeon;
Cho, Eun Jin

Publication type:

Article

Synthesis and Crystal Structure of the Iron(III) Oxotellurate(IV) Phosphate Oxide Chloride Fe11(TeO3)2(TeO4)3(PO4)2O4Cl3.

Published in:

Zeitschrift für Anorganische und Allgemeine Chemie, 2014, v. 640, n. 12/13, p. 2435, doi. 10.1002/zaac.201400349

By:

Zimmermann, Iwan;
Johnsson, Mats

Publication type:

Article

Initial quantum levels of captured muons in CO, CO2, and COS.

Published in:

Journal of Radioanalytical & Nuclear Chemistry, 2019, v. 320, n. 2, p. 283, doi. 10.1007/s10967-019-06470-4

By:

Yoshida, Go;
Ninomiya, Kazuhiko;
Inagaki, Makoto;
Higemoto, Wataru;
Strasser, Patrick;
Kawamura, Naritoshi;
Shimomura, Koichiro;
Miyake, Yasuhiro;
Miura, Taichi;
Kubo, Kenya M.;
Shinohara, Atsushi

Publication type:

Article

The Nature of Halogen Dependence of 103Rh NMR Chemical Shift in Complex Anions cis-[X1X2Rh(CO)2]− (X1, X2 = Cl, Br, I).

Published in:

Journal of Structural Chemistry, 2019, v. 60, n. 11, p. 1750, doi. 10.1134/S0022476619110076

By:

Mirzaeva, I. V.;
Kozlova, S. G.

Publication type:

Article

Polar Germanosilicate K1.46Pb1.54Ca[(Ge0.23Si0.77)3O9](OH)0.54 ⋅ 0.46H2O with a Wollastonite Chain and Wide Isomorphism.

Published in:

Crystallography Reports, 2019, v. 64, n. 2, p. 247, doi. 10.1134/S1063774519020068

By:

Belokoneva, E. L.;
Morozov, I. A.;
Dimitrova, O. V.;
Volkov, A. S.

Publication type:

Article

On the Possible Coordination on a 3MC State Itself? Mechanistic Investigation Using DFT-Based Methods.

Published in:

Inorganics, 2020, v. 8, n. 2, p. 15, doi. 10.3390/inorganics8020015

By:

Soupart, Adrien;
Alary, Fabienne;
Heully, Jean-Louis;
Dixon, Isabelle M.

Publication type:

Article

Syntheses and Structures of Novel λ3,λ3-Phosphanylalumanes Fully Bearing Carbon Substituents and Their Substituent Effects.

Published in:

Inorganics, 2019, v. 7, n. 11, p. 132, doi. 10.3390/inorganics7110132

By:

Yanagisawa, Tatsuya;
Mizuhata, Yoshiyuki;
Tokitoh, Norihiro

Publication type:

Article

Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates.

Published in:

Inorganics, 2019, v. 7, n. 3, p. 41, doi. 10.3390/inorganics7030041

By:

Liebing, Phil;
Harmgarth, Nicole;
Zörner, Florian;
Engelhardt, Felix;
Hilfert, Liane;
Busse, Sabine;
Edelmann, Frank T.

Publication type:

Article

Development and Characterization of Membranes with PVA Containing Silver Particles: A Study of the Addition and Stability.

Published in:

Polymers (20734360), 2020, v. 12, n. 9, p. 1937, doi. 10.3390/polym12091937

By:

Thompson, Audie K.;
Hackett, Cannon;
Grady, Tony L.;
Enyinnia, Silver;
Moore III, Quincy C.;
Nave, Felecia M.

Publication type:

Article

Relative Permittivity Behaviour of CH3COCH2CH3 (2-Butanone) with CH2Cl2, CH2Cl.CH2Cl and CCl2CCl2.

Published in:

Bulletin of Pure & Applied Sciences-Chemistry, 2022, v. 41C, n. 1, p. 1, doi. 10.5958/2320-320X.2022.00001.2

By:

Tripathi, Atri Deo

Publication type:

Article

The Origin of Ultralow Thermal Conductivity in InTe: Lone-Pair-Induced Anharmonic Rattling.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 27, p. 7792, doi. 10.1002/anie.201511737

By:

Jana, Manoj K.;
Pal, Koushik;
Waghmare, Umesh V.;
Biswas, Kanishka

Publication type:

Article

Two-Orbital Three-Electron Stabilizing Interaction for Direct Co2+As3+ Bonds involving Square-Planar CoO4 in BaCoAs2O5.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 12, p. 3111, doi. 10.1002/anie.201311183

By:

David, Rénald;
Kabbour, Houria;
Pautrat, Alain;
Touati, Nadia;
Whangbo, Myung‐Hwan;
Mentré, Olivier

Publication type:

Article

The Structure of Cis-2,2′-Azopyridine in the Solid State.

Published in:

Journal of Chemical Crystallography, 2019, v. 49, n. 2, p. 113, doi. 10.1007/s10870-018-0737-z

By:

Linares Mendez, Iamnica J.;
Pleizier, Jeffrey S.;
Wang, Hong-Bo;
Wisner, James A.

Publication type:

Article

Three-Center Bonds in closo-Sb2Sn10 Clusters.

Published in:

Russian Journal of General Chemistry, 2020, v. 90, n. 5, p. 877, doi. 10.1134/S1070363220050205

By:

Semenov, S. G.;
Bedrina, M. E.;
Klemeshev, V. A.;
Titov, A. V.

Publication type:

Article

Amidinato Germylene‐Zinc Complexes: Synthesis, Bonding, and Reactivity.

Published in:

Chemistry - An Asian Journal, 2020, v. 15, n. 19, p. 3116, doi. 10.1002/asia.202000807

By:

Yadav, Sandeep;
Kumar, Rohit;
Vipin Raj, K.;
Yadav, Prashant;
Vanka, Kumar;
Sen, Sakya S.

Publication type:

Article

A Design Strategy for Single‐Stranded Helicates using Pyridine‐Hydrazone Ligands and PbII.

Published in:

Chemistry - An Asian Journal, 2019, v. 14, n. 8, p. 1184, doi. 10.1002/asia.201801784

By:

Lobo, Maureen J.;
Moratti, Stephen C.;
Hanton, Lyall R.

Publication type:

Article

Front Cover: Through‐Space "α‐Effect" between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives (Eur. J. Org. Chem. 2/2020).

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 2, p. 145, doi. 10.1002/ejoc.201901761

By:

Kvyatkovskaya, Elizaveta A.;
Nikitina, Eugeniya V.;
Khrustalev, Victor N.;
Galmés, Bartomeu;
Zubkov, Fedor I.;
Frontera, Antonio

Publication type:

Article

Through‐Space "α‐Effect" between the Bridging Oxygen Atoms in Diepoxybenzo[de]isothiochromene Derivatives.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 2, p. 156, doi. 10.1002/ejoc.201901169

By:

Kvyatkovskaya, Elizaveta A.;
Nikitina, Eugeniya V.;
Khrustalev, Victor N.;
Galmés, Bartomeu;
Zubkov, Fedor I.;
Frontera, Antonio

Publication type:

Article

Acceleration and Inhibition Effect of Tertiary Amines on Thermal Degradation of Poly(Vinyl Chloride).

Published in:

Journal of Vinyl & Additive Technology, 2020, v. 26, n. 3, p. 253, doi. 10.1002/vnl.21738

By:

Kato, Yuichi;
Sudo, Eiichi

Publication type:

Article

Realization of Lewis Basic Sodium Anion in the NaBH3− Cluster.

Published in:

Angewandte Chemie, 2019, v. 131, n. 39, p. 13927, doi. 10.1002/ange.201907089

By:

Liu, Gaoxiang;
Fedik, Nikita;
Martinez‐Martinez, Chalynette;
Ciborowski, Sandra M.;
Zhang, Xinxing;
Boldyrev, Alexander I.;
Bowen, Kit H.

Publication type:

Article

Asymmetric Catalytic [2,3] Stevens and Sommelet–Hauser Rearrangements of α‐Diazo Pyrazoleamides with Sulfides.

Published in:

Angewandte Chemie, 2019, v. 131, n. 38, p. 13626, doi. 10.1002/ange.201907164

By:

Lin, Xiaobin;
Yang, Wei;
Yang, Wenkun;
Liu, Xiaohua;
Feng, Xiaoming

Publication type:

Article

Dibenzoarsepins: Planarization of 8π‐Electron System in the Lowest Singlet Excited State.

Published in:

Angewandte Chemie, 2019, v. 131, n. 34, p. 11812, doi. 10.1002/ange.201904882

By:

Kawashima, Ikuo;
Imoto, Hiroaki;
Ishida, Masatoshi;
Furuta, Hiroyuki;
Yamamoto, Shunsuke;
Mitsuishi, Masaya;
Tanaka, Susumu;
Fujii, Toshiki;
Naka, Kensuke

Publication type:

Article

An Acyclic Arsenium Cation Stabilised by a Single P–As π‐Interaction and a Cyclic Diphosphinophosphonium Salt.

Published in:

Angewandte Chemie, 2019, v. 131, n. 32, p. 11123, doi. 10.1002/ange.201905922

By:

Izod, Keith;
Evans, Peter;
Waddell, Paul G.

Publication type:

Article

Atypical Lone Pair–π Interaction with Quinone Methides in a Series of Imido‐Ferrociphenol Anticancer Drug Candidates.

Published in:

Angewandte Chemie, 2019, v. 131, n. 25, p. 8509, doi. 10.1002/ange.201902456

By:

Wang, Yong;
Pigeon, Pascal;
Top, Siden;
Sanz García, Juan;
Troufflard, Claire;
Ciofini, Ilaria;
McGlinchey, Michael J.;
Jaouen, Gérard

Publication type:

Article

Water-Water and Water-Solute Interactions in Microsolvated Organic Complexes.

Published in:

Angewandte Chemie, 2015, v. 127, n. 3, p. 993, doi. 10.1002/ange.201409057

By:

Pérez, Cristóbal;
Neill, Justin L.;
Muckle, Matthew T.;
Zaleski, Daniel P.;
Peña, Isabel;
Lopez, Juan C.;
Alonso, Jose L.;
Pate, Brooks H.

Publication type:

Article

Search for a Strong, Virtually 'No-Shift' Hydrogen Bond: A Cage Molecule with an Exceptional OH⋅⋅⋅F Interaction.

Published in:

Angewandte Chemie, 2014, v. 126, n. 34, p. 9070, doi. 10.1002/ange.201403599

By:

Struble, Mark D.;
Kelly, Courtney;
Siegler, Maxime A.;
Lectka, Thomas

Publication type:

Article