Works matching DE "HYPERCONJUGATION (Molecular physics)"

Results: 23

Theoretical characterization of gas-phase thermolysis products of ethane-1,2-diol, 2-chloroethanol and 2-fluoroethanol.

Published in:

Molecular Physics, 2013, v. 111, n. 5, p. 643, doi. 10.1080/00268976.2012.739716

By:

Osman, Osman I.;
Elroby, Shabaan A. K.;
Hilal, Rifaat H.;
Aziz, Saadullah G.

Publication type:

Article

Hyperconjugation enhances electrophilic addition to monocyclic monoterpenes: a Fukui function perspective.

Published in:

Journal of Molecular Modeling, 2018, v. 24, n. 10, p. 1, doi. 10.1007/s00894-018-3825-2

By:

Amador-Balderas, Jorge A.;
Ramírez, Ramsés E.;
Méndez, Francisco;
Meléndez, Francisco J.;
Richaud, Arlette

Publication type:

Article

Fluxional behaviour of tricyclo[2.2.1.02,6]heptaphosphide trisanion: a DFT investigation.

Published in:

Zeitschrift für Naturforschung B: A Journal of Chemical Sciences, 2015, v. 70, n. 12, p. 871, doi. 10.1515/znb-2015-0101

By:

Bhargava, Meha;
Maheshwari, Pooja;
Kour, Manjinder;
Bansal, Raj K.

Publication type:

Article

A Stable Crystalline Triarylphosphine Oxide Radical Anion.

Published in:

Angewandte Chemie International Edition, 2016, v. 55, n. 43, p. 13597, doi. 10.1002/anie.201605963

By:

Schaub, Tobias A.;
Zolnhofer, Eva M.;
Halter, Dominik P.;
Shubina, Tatyana E.;
Hampel, Frank;
Meyer, Karsten;
Kivala, Milan

Publication type:

Article

Mechanistic Studies of the Radical S-Adenosylmethionine Enzyme DesII with TDP- D-Fucose.

Published in:

Angewandte Chemie International Edition, 2015, v. 54, n. 3, p. 860, doi. 10.1002/anie.201409540

By:

Ko, Yeonjin;
Ruszczycky, Mark W.;
Choi, Sei‐Hyun;
Liu, Hung‐wen

Publication type:

Article

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 50, p. 13756, doi. 10.1002/anie.201407801

By:

Gloaguen, Eric;
Brenner, Valérie;
Alauddin, Mohammad;
Tardivel, Benjamin;
Mons, Michel;
Zehnacker-Rentien, Anne;
Declerck, Valérie;
Aitken, David J.

Publication type:

Article

Charge-Scaling Effect in Ionic Liquids from the Charge-Density Analysis of N, N′-Dimethylimidazolium Methylsulfate.

Published in:

Angewandte Chemie International Edition, 2014, v. 53, n. 12, p. 3143, doi. 10.1002/anie.201308760

By:

Beichel, Witali;
Trapp, Nils;
Hauf, Christoph;
Kohler, Oliver;
Eickerling, Georg;
Scherer, Wolfgang;
Krossing, Ingo

Publication type:

Article

Hyperconjugative aromaticity and protodeauration reactivity of polyaurated indoliums.

Published in:

Nature Communications, 2019, v. 10, n. 1, p. 1, doi. 10.1038/s41467-019-13663-8

By:

Xiao, Kui;
Zhao, Yu;
Zhu, Jun;
Zhao, Liang

Publication type:

Article

Hyperconjugation.

Published in:

WIREs: Computational Molecular Science, 2019, v. 9, n. 2, p. N.PAG, doi. 10.1002/wcms.1389

By:

Alabugin, Igor V.;
dos Passos Gomes, Gabriel;
Abdo, Miguel A.

Publication type:

Article

Mechanistic Studies of the Radical S-Adenosylmethionine Enzyme DesII with TDP- D-Fucose.

Published in:

Angewandte Chemie, 2015, v. 127, n. 3, p. 874, doi. 10.1002/ange.201409540

By:

Ko, Yeonjin;
Ruszczycky, Mark W.;
Choi, Sei ‐ Hyun;
Liu, Hung ‐ wen

Publication type:

Article

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides.

Published in:

Angewandte Chemie, 2014, v. 126, n. 50, p. 13976, doi. 10.1002/ange.201407801

By:

Gloaguen, Eric;
Brenner, Valérie;
Alauddin, Mohammad;
Tardivel, Benjamin;
Mons, Michel;
Zehnacker-Rentien, Anne;
Declerck, Valérie;
Aitken, David J.

Publication type:

Article

Theoretical Investigation of the Cooperativity in CH3CHO.2H2O, CH2FCHO.2H2O, and CH3CFO.2H2O Systems.

Published in:

Journal of Atomic, Molecular & Optical Physics, 2012, p. 1, doi. 10.1155/2012/754879

By:

Chandra, Asit K.;
Zeegers-Huyskens, Therese

Publication type:

Article

On Lawson's area-minimizing hypercones.

Published in:

Acta Mathematica Sinica, 2016, v. 32, n. 12, p. 1465, doi. 10.1007/s10114-016-5643-8

By:

Zhang, Yong

Publication type:

Article

Conformational Analysis of P,N-Containing Eight-Membered Heterocycles and Their Pt/Ni Complexes in Solution.

Published in:

European Journal of Inorganic Chemistry, 2016, v. 2016, n. 7, p. 1068, doi. 10.1002/ejic.201501331

By:

Latypov, Shamil;
Strelnik, Anna;
Balueva, Anna;
Spiridonova, Yulia;
Karasik, Andrey;
Sinyashin, Oleg

Publication type:

Article

The Role of Hyperconjugation on the Structure and C–H Stretching Frequencies of 3,3′-Ethane-1,2-diyl- bis-1,3,5-triazabicyclo[3.2.1]octane (ETABOC): An X-Ray Structure and Vibrational Study.

Published in:

Crystals (2073-4352), 2018, v. 8, n. 6, p. 251, doi. 10.3390/cryst8060251

By:

Rivera, Augusto;
Uribe, Juan Manuel;
Ríos-Motta, Jaime;
Bolte, Michael

Publication type:

Article

Covalent Grafting of Silatranes to Carbon Interfaces.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 30, p. 9290, doi. 10.1002/chem.201403091

By:

Peureux, Charles;
Jouikov, Viatcheslav

Publication type:

Article

Electron Delocalization Explains much of the Branching and Protobranching Stability.

Published in:

Chemistry - A European Journal, 2013, v. 19, n. 33, p. 11093, doi. 10.1002/chem.201302549

By:

Kemnitz, Carl R.

Publication type:

Article

Stereoretentive Copper(II)-Catalyzed Ritter Reactions of Secondary Cycloalkanols.

Published in:

Advanced Synthesis & Catalysis, 2013, v. 355, n. 14/15, p. 3071, doi. 10.1002/adsc.201300233

By:

Al ‐ huniti, Mohammed H.;
Lepore, Salvatore D.

Publication type:

Article

Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects.

Published in:

Chemistry - An Asian Journal, 2016, v. 11, n. 2, p. 234, doi. 10.1002/asia.201500897

By:

Sun, Hongchao;
An, Ke;
Zhu, Jun

Publication type:

Article

A TWIST IN THE ANOMERIC EFFECT.

Published in:

Studia Universitatis Babes-Bolyai, Chemia, 2014, v. 59, n. 4, p. 95

By:

SILAGHI-DUMITRESCU, RADU;
MAYEN, JUAN FRANCISCO CARRASCOZA

Publication type:

Article

Substituent effects on the properties of the hemi-bonded complexes (XHP···NHY) (X, Y=H, F, Cl, Br, NH, CH, OH).

Published in:

Journal of Molecular Modeling, 2016, v. 22, n. 1, p. 1, doi. 10.1007/s00894-015-2876-x

By:

Ji, Li;
Li, An;
Li, Zhuo;
Ge, Zhi

Publication type:

Article

On the large σ-hyperconjugation in alkanes and alkenes.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2228-2

By:

Wu, Judy;
Wang, Changwei;
McKee, William;
von Ragué Schleyer, Paul;
Wu, Wei;
Mo, Yirong

Publication type:

Article

On the origin of internal rotation in ammonia borane.

Published in:

Journal of Molecular Modeling, 2014, v. 20, n. 6, p. 1, doi. 10.1007/s00894-014-2272-y

By:

Parafiniuk, Monika;
Mitoraj, Mariusz

Publication type:

Article

Works matching DE "HYPERCONJUGATION (Molecular physics)"

Theoretical characterization of gas-phase thermolysis products of ethane-1,2-diol, 2-chloroethanol and 2-fluoroethanol.

Hyperconjugation enhances electrophilic addition to monocyclic monoterpenes: a Fukui function perspective.

Fluxional behaviour of tricyclo[2.2.1.0<sup>2,6</sup>]heptaphosphide trisanion: a DFT investigation.

A Stable Crystalline Triarylphosphine Oxide Radical Anion.

Mechanistic Studies of the Radical S-Adenosylmethionine Enzyme DesII with TDP- D-Fucose.

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides.

Charge-Scaling Effect in Ionic Liquids from the Charge-Density Analysis of N, N′-Dimethylimidazolium Methylsulfate.

Hyperconjugative aromaticity and protodeauration reactivity of polyaurated indoliums.

Hyperconjugation.

Mechanistic Studies of the Radical S-Adenosylmethionine Enzyme DesII with TDP- D-Fucose.

Direct Spectroscopic Evidence of Hyperconjugation Unveils the Conformational Landscape of Hydrazides.

Theoretical Investigation of the Cooperativity in CH<sub>3</sub>CHO.2H<sub>2</sub>O, CH<sub>2</sub>FCHO.2H<sub>2</sub>O, and CH<sub>3</sub>CFO.2H<sub>2</sub>O Systems.

On Lawson's area-minimizing hypercones.

Conformational Analysis of P,N-Containing Eight-Membered Heterocycles and Their Pt/Ni Complexes in Solution.

The Role of Hyperconjugation on the Structure and C–H Stretching Frequencies of 3,3′-Ethane-1,2-diyl- bis-1,3,5-triazabicyclo[3.2.1]octane (ETABOC): An X-Ray Structure and Vibrational Study.

Covalent Grafting of Silatranes to Carbon Interfaces.

Electron Delocalization Explains much of the Branching and Protobranching Stability.

Stereoretentive Copper(II)-Catalyzed Ritter Reactions of Secondary Cycloalkanols.

Triplet State Aromaticity: NICS Criterion, Hyperconjugation, and Charge Effects.

A TWIST IN THE ANOMERIC EFFECT.

Substituent effects on the properties of the hemi-bonded complexes (XHP···NHY) (X, Y=H, F, Cl, Br, NH, CH, OH).

On the large σ-hyperconjugation in alkanes and alkenes.

On the origin of internal rotation in ammonia borane.