Works matching DE "HYPERCONJUGATION"

Results: 96

The Possible Aromatic Conjugation via the Different Edges of (Car)Borane Clusters: Can the Relationship Between 3D and 2D Aromatic Systems Be Reconciled?

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 61, p. 1, doi. 10.1002/chem.202402970

By:

Buzsáki, Dániel;
Gál, Dalma;
Harcsa‐Pintér, Zsófia;
Kalabay, László;
Kelemen, Zsolt

Publication type:

Article

What Determines the Lewis Acidity of a Bismuthane? Towards Bi‐Based FLPs.

Published in:

Chemistry - A European Journal, 2024, v. 30, n. 57, p. 1, doi. 10.1002/chem.202402154

By:

Hartmann, Charlotte U.;
Reimann, Marc;
Cula, Beatrice;
Kaupp, Martin;
Limberg, Christian

Publication type:

Article

Electrostatic CH−π Interactions Can Override Fluorine Gauche Effects To Exert Conformational Control.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 6, p. 1, doi. 10.1002/chem.202203139

By:

Emenike, Bright U.;
Farshadmand, Amiel;
Zeller, Matthias;
Roman, Armando J.;
Sevimler, Arzu;
Shinn, David W.

Publication type:

Article

Chalcogen Bonding with Diaryl Ditellurides: Evidence from Solid State and Solution Studies.

Published in:

Chemistry - A European Journal, 2022, v. 28, n. 25, p. 1, doi. 10.1002/chem.202200395

By:

Weiss, Robin;
Aubert, Emmanuel;
Groslambert, Loic;
Pale, Patrick;
Mamane, Victor

Publication type:

Article

Hyperconjugation and Hydrogen Bonding Interactions Effect with the Nonlinear Optical Features of 4-Chlorophenoxy Acetonitrile: An Experimental and DFT Methodology.

Published in:

Polycyclic Aromatic Compounds, 2024, v. 44, n. 5, p. 2887, doi. 10.1080/10406638.2023.2225677

By:

Ganapathi Raman, R.;
Preeda, P.

Publication type:

Article

Probing Hyperconjugative Aromaticity of Monosubstituted Cyclopentadienes.

Published in:

Asian Journal of Organic Chemistry, 2019, v. 8, n. 1, p. 123, doi. 10.1002/ajoc.201800680

By:

Xie, Qiong;
Sun, Tingting;
Orozco‐Ic, Mesías;
Barroso, Jorge;
Zhao, Yu;
Merino, Gabriel;
Zhu, Jun

Publication type:

Article

Geometrical Dependence of the Highest Occupied Molecular Orbital in Bicyclic Systems: π-Facial Stereoselectivity of Bicyclic and Tricyclic Olefins.

Published in:

Asian Journal of Organic Chemistry, 2015, v. 4, n. 7, p. 659, doi. 10.1002/ajoc.201500054

By:

Tsuji, Motonori

Publication type:

Article

The nature of resonance and hyperconjugation for cyclic β-silyl substituted carbocations: NBO, NRT, EDA, and NMR studies.

Published in:

Research on Chemical Intermediates, 2013, v. 39, n. 5, p. 2011, doi. 10.1007/s11164-012-0733-4

By:

Dabbagh, Hossein;
Zamani, Mehdi;
Fakhraee, Sara

Publication type:

Article

The role of hyperconjugative π-aromaticity in the enhanced acidity of methyl-, silyl and germylcyclopentadienes.

Published in:

Molecular Physics, 2010, v. 108, n. 19/20, p. 2467, doi. 10.1080/00268976.2010.502138

By:

González-Castrillo, Alberto;
Hurtado, Marcela;
Mó, Otilia;
Yáñez, Manuel;
Guillemin, Jean-Claude

Publication type:

Article

On the Harmonic Oscillator Model of Electron Delocalization (HOMED) Index and its Application to Heteroatomic Π-Electron Systems.

Published in:

Symmetry (20738994), 2010, v. 2, n. 3, p. 1485, doi. 10.3390/sym2031485

By:

Raczyñska, Ewa D.;
Hallman, Malgorzata;
Kolczyñska, Katarzyna;
Stêpniewski, Tomasz M.

Publication type:

Article

Interheteromolecular Hyperconjugation Boosts (De)hydrogenation for Reversible H2 Storage.

Published in:

ChemSusChem, 2023, v. 16, n. 1, p. 1, doi. 10.1002/cssc.202201512

By:

Xue, Wenjie;
Liu, Hongxia;
Zhao, Binbin;
Tang, Conghui;
Xia, Bao Yu;
You, Bo

Publication type:

Article

Anion‐Exchange Membranes for Alkaline Fuel‐Cell Applications: The Effects of Cations.

Published in:

ChemSusChem, 2018, v. 11, n. 1, p. 58, doi. 10.1002/cssc.201701600

By:

Sun, Zhe;
Yan, Feng;
Lin, Bencai

Publication type:

Article

Unveiling the effect of 2D silagraphene structural diversity on electronic properties: DFT, DOS, and ELF studies.

Published in:

Journal of Molecular Modeling, 2022, v. 28, n. 9, p. 1, doi. 10.1007/s00894-022-05251-3

By:

Chataoui, Hassan;
Bahsis, Lahoucine;
Anane, Hafid;
Jarid, Abdellah;
El Houssame, Soufiane

Publication type:

Article

An outstanding heat-resistant hydroxyl boron-silicone oil with hyperconjugation action in backbone.

Published in:

Journal of Thermal Analysis & Calorimetry, 2018, v. 132, n. 3, p. 1825, doi. 10.1007/s10973-018-7065-6

By:

Zhou, Zhengfa;
Shen, Hongkun;
Ren, Fengmei;
Ma, Haihong;
Xu, Weibing;
Zhou, Shuqian

Publication type:

Article

A Study of the Correlation between the Bulkiness of peri -Substituents and the Distortion of a Naphthalene Ring.

Published in:

Molecules, 2023, v. 28, n. 14, p. 5343, doi. 10.3390/molecules28145343

By:

Reza, Annisa Indah;
Iwai, Kento;
Nishiwaki, Nagatoshi

Publication type:

Article

Theoretical Study on the Origin of Abnormal Regioselectivity in Ring-Opening Reaction of Hexafluoropropylene Oxide.

Published in:

Molecules, 2023, v. 28, n. 4, p. 1669, doi. 10.3390/molecules28041669

By:

Yu, Cui;
Sang, Yueqian;
Li, Yao;
Xue, Xiaosong

Publication type:

Article

An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Analysis of the Anomeric Effect.

Published in:

Molecules, 2022, v. 27, n. 15, p. 5003, doi. 10.3390/molecules27155003

By:

Khan, Danish;
Duarte, Leonardo J.;
Popelier, Paul L. A.

Publication type:

Article

Annellated 1,3,4,2-Triazaphospholenes-Simple Modular Synthesis and a First Exploration of Ligand Properties.

Published in:

Molecules, 2022, v. 27, n. 15, p. 4747, doi. 10.3390/molecules27154747

By:

Richter, Ferdinand;
Birchall, Nicholas;
Feil, Christoph M.;
Nieger, Martin;
Gudat, Dietrich

Publication type:

Article

Synthesis, Characterization, DFT and Photocatalytic Studies of a New Pyrazine Cadmium(II) Tetrakis(4-methoxy-phenyl)-porphyrin Compound.

Published in:

Molecules, 2022, v. 27, n. 12, p. 3833, doi. 10.3390/molecules27123833

By:

Mchiri, Chadlia;
Coetzee, Louis-Charl C.;
Chandoul, Faycal;
Jedidi, Abdesslem;
Adeyinka, Adedapo S.;
Magwa, Nomampondo;
Roisnel, Thierry;
Ben Moussa, Sana;
Nasri, Habib

Publication type:

Article

Silacyclohexanes, Sila(hetero)cyclohexanes and Related Compounds: Structure and Conformational Analysis.

Published in:

Molecules, 2020, v. 25, n. 7, p. 1624, doi. 10.3390/molecules25071624

By:

Shainyan, Bagrat A.;
Henary, Maged

Publication type:

Article

Stable Hemiaminals with a Cyano Group and a Triazole Ring.

Published in:

Molecules, 2014, v. 19, n. 8, p. 11160, doi. 10.3390/molecules190811160

By:

Kwiecień, Anna;
Barys, Maciej;
Ciunik, Zbigniew

Publication type:

Article

Modes of Neighbouring Group Participation by the Methyl Selenyl Substituent in β-Methylselenylmethyl-substituted 1-Phenylethyl Carbenium Ions.

Published in:

Molecules, 2013, v. 18, n. 10, p. 11705, doi. 10.3390/molecules181011705

By:

Harris, Benjamin L.;
White, Jonathan M.

Publication type:

Article

Computational Review of Conformers 2-Choroacetaldehyd.

Published in:

International Journal of New Chemistry, 2021, v. 8, n. 3, p. 345, doi. 10.22034/ijnc.2020.127669.1119

By:

Fazaeli, Reza;
Ghasemi, Abdullah

Publication type:

Article

13C-13C spin-spin coupling constants in structural studies: XLIV. Carbonyl-containing oximes.

Published in:

Russian Journal of Organic Chemistry, 2009, v. 45, n. 4, p. 481, doi. 10.1134/S1070428009040010

By:

Istomina, N. V.;
Shcherbina, N. A.;
Krivdin, L. B.

Publication type:

Article

Theoretical Study of the Solvent Effect on Elimination Reactions: Hybrid-DFT Study and NBO Analysis.

Published in:

Journal of Structural Chemistry, 2024, v. 65, n. 5, p. 929, doi. 10.1134/S002247662405007X

By:

Hasanzadeh, N.

Publication type:

Article

Molecular Structure, Vibrational Analysis, Hyperpolarizability and NBO Analysis of 3-Methyl-Picolinic Acid Using SQM Calculations.

Published in:

Journal of Structural Chemistry, 2018, v. 59, n. 5, p. 1022, doi. 10.1134/S0022476618050037

By:

Ramesh, G.;
Prashanth, J.;
Laxman Naik, J.;
Venkatram Reddy, B.

Publication type:

Article

A theoretical study of keto-enol isomerism and internal rotation in the HSalen molecule, N,N′-ethylene-bis(salicylidenimine) - schiff base.

Published in:

Journal of Structural Chemistry, 2011, v. 52, n. 1, p. 16, doi. 10.1134/S0022476611010033

By:

Sliznev, V.;
Girichev, G.

Publication type:

Article

The Homopolyatomic Sulfur Cation [S 20 ] 2+.

Published in:

Inorganics, 2025, v. 13, n. 1, p. 23, doi. 10.3390/inorganics13010023

By:

Derendorf, Janis;
Heiderich, Lara;
Jenne, Carsten;
Nierstenhöfer, Marc C.

Publication type:

Article

Substituent Effects in P- and As-centered Radical Cations.

Published in:

Russian Journal of General Chemistry, 2003, v. 73, n. 6, p. 880, doi. 10.1023/A:1026392516092

By:

Egorochkin, A. N.;
Voronkov, M. G.;
Zderenova, O. V.;
Mushtina, T. G.

Publication type:

Article

Low-Frequency CH Stretch Vibrations of Free Alkoxide Ions.

Published in:

Angewandte Chemie International Edition, 2017, v. 56, n. 1, p. 217, doi. 10.1002/anie.201609437

By:

Oomens, Jos;
Berden, Giel;
Morton, Thomas Hellman

Publication type:

Article

Highly Efficient Catalytic Formation of ( Z)-1,4-But-2-ene Diols Using Water as a Nucleophile.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 37, p. 11037, doi. 10.1002/anie.201603638

By:

Guo, Wusheng;
Martínez-Rodríguez, Luis;
Martin, Eddy;
Escudero-Adán, Eduardo C.;
Kleij, Arjan W.

Publication type:

Article

Anticancer nanometre-biomissiles carrying a leucine insulator and an antibody complementarity-determining region.

Published in:

Current Science (00113891), 2021, v. 120, n. 1, p. 177, doi. 10.18520/cs/v120/i1/177-185

By:

Meng Xing;
Xiaoxia Li;
Shanshan An;
Chongfeng Lan;
Min Fu;
Yunfan Shi;
Yan Huang;
Man Tang;
Yulin Wan;
Yuchuan Wang;
Jingli Peng;
Kai Wang;
Zi-Wei Ye;
Shaoping Weng;
Qiuyun Liu;
Jianguo He;
Wenliang Zhou

Publication type:

Article

The Effects of Hybridization and Hyperconjugation in the Intramolecular Blue-shifted H-Bonds N-H…O.

Published in:

Chemistry Letters, 2008, v. 37, n. 6, p. 1, doi. 10.1246/cl.2008.596

By:

An Yong Li

Publication type:

Article

Two-coordinate Group 13 Element (Al, Ga) Centered Cations Formed by Silyl Group Migration: Synthesis and Characterization.

Published in:

Chemistry Letters, 2007, v. 36, n. 8, p. 984, doi. 10.1246/cl.2007.984

By:

Nakamoto, Masaaki;
Shimizu, Kousuke;
Sekiguchi, Akira

Publication type:

Article

Synthesis and reactivity of 3-(2,2-dimethylhydrazono)-5-R-cyclopentane-1,1,2,2-tetracarbonitriles.

Published in:

Russian Journal of General Chemistry, 2015, v. 85, n. 10, p. 2285, doi. 10.1134/S1070363215100114

By:

Sheverdov, V.;
Nasakin, O.;
Davydova, V.;
Khrustalev, V.

Publication type:

Article

Predicting an Antiaromatic Benzene Ring in the Ground State Caused by Hyperconjugation.

Published in:

Chemistry - An Asian Journal, 2019, v. 14, n. 23, p. 4309, doi. 10.1002/asia.201901261

By:

Zhao, Yu;
Xie, Qiong;
Sun, Tingting;
Wu, Jiashun;
Zhu, Jun

Publication type:

Article

Front Cover: Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect (Chem. Asian J. 11/2018).

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1386, doi. 10.1002/asia.201800356

By:

Sun, Tingting;
Xie, Qiong;
Zhao, Liang;
Zhu, Jun

Publication type:

Article

Probing the Most Aromatic and Antiaromatic Pyrrolium Rings by Maximizing Hyperconjugation and Push–Pull Effect.

Published in:

Chemistry - An Asian Journal, 2018, v. 13, n. 11, p. 1419, doi. 10.1002/asia.201800179

By:

Sun, Tingting;
Xie, Qiong;
Zhao, Liang;
Zhu, Jun

Publication type:

Article

Filling the Gap within 10‐Membered Heteroenediynes: Thiaenediyne – An Experimental and Theoretical Study.

Published in:

European Journal of Organic Chemistry, 2024, v. 27, n. 47, p. 1, doi. 10.1002/ejoc.202401127

By:

Danilkina, Natalia A.;
Khmelevskaya, Ekaterina A.;
Shtyrov, Andrey A.;
Ryazantsev, Mikhail N.;
Khlebnikov, Alexander F.;
Tupikina, Elena Yu.;
Rumyantsev, Andrey M.;
D'yachenko, Alexander S.;
Balova, Irina A.

Publication type:

Article

Stereoelectronic Effects in Multivicinal Fluoroalkanes and Conformational Implications.

Published in:

European Journal of Organic Chemistry, 2020, v. 2020, n. 4, p. 501, doi. 10.1002/ejoc.201901780

By:

Simões, Luís H.;
Cormanich, Rodrigo A.

Publication type:

Article

Cover Feature: Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action (Eur. J. Org. Chem. 39/2019).

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6580, doi. 10.1002/ejoc.201901447

By:

Samanta, Shyam S.;
Roche, Stéphane P.

Publication type:

Article

Synthesis and Reactivity of α‐Haloglycine Esters: Hyperconjugation in Action.

Published in:

European Journal of Organic Chemistry, 2019, v. 2019, n. 39, p. 6597, doi. 10.1002/ejoc.201901033

By:

Samanta, Shyam S.;
Roche, Stéphane P.

Publication type:

Article

Theoretical study of H bonds of HArF and HF with isoelectronic systems N2, CO, and BF.

Published in:

Canadian Journal of Chemistry, 2010, v. 88, n. 4, p. 352, doi. 10.1139/V10-004

By:

An Yong Li;
Li Juan Cao;
Hong Bo Ji

Publication type:

Article

Variation of the ease of α-sulfonyl carbanion formation with the orientation of different β-substituents: Experimental evidence for the generality of negative hyperconjugation as an important substituent effect.

Published in:

Canadian Journal of Chemistry, 2003, v. 81, n. 6, p. 638, doi. 10.1139/v03-015

By:

King, James F;
Li, Manqing;
Cheng, Allan Zijun;
Dave, Vinod;
Payne, Nicholas C

Publication type:

Article

An ab initio study of conformations and sigmatropic shifts in triazene and its mono-, di-, and trimethyl derivatives.

Published in:

Canadian Journal of Chemistry, 2002, v. 80, n. 5, p. 447, doi. 10.1139/v02-049

By:

Pye, Cory C;
Vaughan, Keith;
Glister, Julie F

Publication type:

Article

Synthesis and conformational features of sym N,N′,N″-triarylguanidines.

Published in:

Journal of Chemical Sciences, 2010, v. 122, n. 2, p. 157, doi. 10.1007/s12039-010-0017-8

By:

Gopi, Kanniyappan;
Rathi, Brijesh;
Thirupathi, Natesan

Publication type:

Article

Control of Excited‐State Conformations in B,N‐Acenes.

Published in:

Angewandte Chemie, 2019, v. 131, n. 13, p. 4303, doi. 10.1002/ange.201814104

By:

Lu, Zhenpin;
Quanz, Henrik;
Ruhl, Julia;
Albrecht, Georg;
Logemann, Christian;
Schlettwein, Derck;
Schreiner, Peter R.;
Wegner, Hermann A.

Publication type:

Article

The Comparability of Pt to Pt‐Ru in Catalyzing the Hydrogen Oxidation Reaction for Alkaline Polymer Electrolyte Fuel Cells Operated at 80 °C.

Published in:

Angewandte Chemie, 2019, v. 131, n. 5, p. 1456, doi. 10.1002/ange.201812662

By:

Li, Qihao;
Peng, Hanqing;
Wang, Yingming;
Xiao, Li;
Lu, Juntao;
Zhuang, Lin

Publication type:

Article

Exceptionally Long C−C Single Bonds in Diamino‐o‐carborane as Induced by Negative Hyperconjugation.

Published in:

Angewandte Chemie, 2019, v. 131, n. 5, p. 1411, doi. 10.1002/ange.201812555

By:

Li, Junxia;
Pang, Ronglin;
Li, Zhifang;
Lai, Guoqiao;
Xiao, Xu‐Qiong;
Müller, Thomas

Publication type:

Article

Donor-σ-Acceptor Motifs: Thermally Activated Delayed Fluorescence Emitters with Dual Upconversion.

Published in:

Angewandte Chemie, 2017, v. 129, n. 52, p. 16763, doi. 10.1002/ange.201708876

By:

Geng, Yan;
D'Aleo, Anthony;
Inada, Ko;
Cui, Lin‐Song;
Kim, Jong Uk;
Nakanotani, Hajime;
Adachi, Chihaya

Publication type:

Article