Artículos de revistas sobre el tema "S-H Bond Study"
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Munshi, Parthapratim, Tejender S. Thakur, Tayur N. Guru Row y Gautam R. Desiraju. "Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study". Acta Crystallographica Section B Structural Science 62, n.º 1 (17 de enero de 2006): 118–27. http://dx.doi.org/10.1107/s0108768105033689.
Texto completoKohli, Ruchi y Rupinder Preet Kaur. "A Theoretical Study of Hydrogen-Bonded Complexes of Ethylene Glycol, Thioglycol and Dithioglycol with Water". Asian Journal of Chemistry 34, n.º 1 (2021): 169–82. http://dx.doi.org/10.14233/ajchem.2022.23487.
Texto completoWood, Peter A., Elna Pidcock y Frank H. Allen. "Interaction geometries and energies of hydrogen bonds to C=O and C=S acceptors: a comparative study". Acta Crystallographica Section B Structural Science 64, n.º 4 (10 de julio de 2008): 491–96. http://dx.doi.org/10.1107/s0108768108015437.
Texto completoNowroozi, A., H. Roohi, M. Poorsargol, P. Mohammadzadeh Jahani, H. Hajiabadi y H. Raissi. "NH···S and SH···N intramolecular hydrogen bond in β-thioaminoacrolein: A quantum chemical study". International Journal of Quantum Chemistry 111, n.º 12 (10 de junio de 2010): 3008–16. http://dx.doi.org/10.1002/qua.22615.
Texto completoSteiner, T. "Hydrogen-Bond Distances to Halide Ions in Organic and Organometallic Crystal Structures: Up-to-date Database Study". Acta Crystallographica Section B Structural Science 54, n.º 4 (1 de agosto de 1998): 456–63. http://dx.doi.org/10.1107/s0108768197014821.
Texto completoLi, An Yong, Li Juan Cao y Hong Bo Ji. "Theoretical study of H bonds of HArF and HF with isoelectronic systems N2, CO, and BF". Canadian Journal of Chemistry 88, n.º 4 (abril de 2010): 352–61. http://dx.doi.org/10.1139/v10-004.
Texto completoYang, Yong. "Theoretical study of the SH···O blue-shifted hydrogen bond". International Journal of Quantum Chemistry 109, n.º 2 (2009): 266–74. http://dx.doi.org/10.1002/qua.21691.
Texto completoRaissi, Heidar, Mehdi Yoosefian, Soheila Zamani y Farzaneh Farzad. "Conformational study, molecular structure, and S…H‒N, S‒H…N intramolecular hydrogen bond in thioformyl-3-aminoacrylaldehyde". Journal of Sulfur Chemistry 33, n.º 1 (28 de noviembre de 2011): 75–85. http://dx.doi.org/10.1080/17415993.2011.635793.
Texto completoHützler, Wilhelm Maximilian y Michael Bolte. "Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H...S hydrogen bonds". Acta Crystallographica Section C Crystal Structure Communications 69, n.º 1 (15 de diciembre de 2012): 93–100. http://dx.doi.org/10.1107/s010827011204930x.
Texto completoKruszynski, Rafal. "Intermolecular interactions in 2,4-dinitrophenylhydrazine hydrochloride hydrate: X-ray structural and quantum mechanical study". Open Chemistry 6, n.º 4 (1 de diciembre de 2008): 542–48. http://dx.doi.org/10.2478/s11532-008-0067-7.
Texto completoRamegowda, Mariyappa, Keremegaladoddi N. Ranjitha y Thalashasana N. Deepika. "Exploring excited state properties of 7-hydroxy and 7-methoxy 4-methycoumarin: a combined time-dependent density functional theory/effective fragment potential study". New Journal of Chemistry 40, n.º 3 (2016): 2211–19. http://dx.doi.org/10.1039/c5nj02917a.
Texto completoOkuniewski, Andrzej, Damian Rosiak, Jarosław Chojnacki y Barbara Becker. "Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea". Acta Crystallographica Section C Structural Chemistry 73, n.º 1 (1 de enero de 2017): 52–56. http://dx.doi.org/10.1107/s2053229616019495.
Texto completoPoon, Clement y Paul M. Mayer. "Electron-spin conservation and methyl-substitution effects on bonds in closed- and open-shell systems A G3 ab initio study of small boron-containing molecules and radicals". Canadian Journal of Chemistry 80, n.º 1 (1 de enero de 2002): 25–30. http://dx.doi.org/10.1139/v01-185.
Texto completoHamzehee, Farahnaz, Mehrdad Pourayoubi, Marek Nečas y Duane Choquesillo-Lazarte. "Extensive analysis of N—H...O hydrogen bonding in four classes of phosphorus compounds: a combined experimental and database study". Acta Crystallographica Section C Structural Chemistry 73, n.º 3 (21 de febrero de 2017): 287–97. http://dx.doi.org/10.1107/s2053229617001516.
Texto completoPavan, Mysore S., Sounak Sarkar y Tayur N. Guru Row. "Exploring the rare S—H...S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid". Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials 73, n.º 4 (27 de julio de 2017): 626–33. http://dx.doi.org/10.1107/s2052520617008344.
Texto completoPaulus, Georgiana, Huey Chong Kwong, Karen A. Crouse y Edward R. T. Tiekink. "2-[(1E)-[(Z)-2-({[(1Z)-[(E)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 76, n.º 8 (10 de julio de 2020): 1245–50. http://dx.doi.org/10.1107/s2056989020008762.
Texto completoKhairuanuar, Nadia Liyana, Karen A. Crouse, Huey Chong Kwong, Sang Loon Tan y Edward R. T. Tiekink. "4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 76, n.º 7 (2 de junio de 2020): 990–97. http://dx.doi.org/10.1107/s2056989020007070.
Texto completoTan, Ming Yueh, Huey Chong Kwong, Karen A. Crouse, Thahira B. S. A. Ravoof y Edward R. T. Tiekink. "1-{(E)-[4-(4-Hydroxyphenyl)butan-2-ylidene]amino}-3-phenylthiourea: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 77, n.º 8 (13 de julio de 2021): 788–94. http://dx.doi.org/10.1107/s2056989021006666.
Texto completoSu, Xing-Xing, Xia-He Chen, De-Bo Ding, Yuan-Bin She y Yun-Fang Yang. "Computational Exploration of Dirhodium Complex-Catalyzed Selective Intermolecular Amination of Tertiary vs. Benzylic C−H Bonds". Molecules 28, n.º 4 (17 de febrero de 2023): 1928. http://dx.doi.org/10.3390/molecules28041928.
Texto completoDege, Necmi, Md Serajul Haque Faizi, Onur Erman Doğan, Erbil Ağar y Irina A. Golenya. "Crystal structure and DFT study of (E)-2-chloro-4-{[2-(2,4-dinitrophenyl)hydrazin-1-ylidene]methyl}phenol acetonitrile hemisolvate". Acta Crystallographica Section E Crystallographic Communications 75, n.º 6 (10 de mayo de 2019): 770–73. http://dx.doi.org/10.1107/s205698901900642x.
Texto completoDjedouani, Amel, Barkahem Anak, Salima Tabti, Franck Cleymand, Michel François y Solenne Fleutot. "Crystal structure and DFT study of the zwitterionic form of 3-{(E)-1-[(4-ethoxyphenyl)iminiumyl]ethyl}-6-methyl-2-oxo-2H-pyran-4-olate". Acta Crystallographica Section E Crystallographic Communications 74, n.º 2 (16 de enero de 2018): 172–75. http://dx.doi.org/10.1107/s2056989018000919.
Texto completoTan, Sang Loon, Mukesh M. Jotani y Edward R. T. Tiekink. "3,3-Bis(2-hydroxyethyl)-1-(4-nitrobenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 76, n.º 2 (7 de enero de 2020): 155–61. http://dx.doi.org/10.1107/s2056989019017328.
Texto completoDandárová, Miloslava, Daniel Végh, Jaroslav Kováč, Igor Goljer, Nadežda Prónayová y Katarína Špirková. "1H and 13C NMR study of some substituted 2-furyl- and 2-thienylethylene derivatives". Collection of Czechoslovak Chemical Communications 51, n.º 4 (1986): 889–98. http://dx.doi.org/10.1135/cccc19860889.
Texto completoJiang, Yuan-Ye, Ling Zhu, Xia Fan, Qi Zhang, Ya-Jie Fu, He Li, Bing Hu y Siwei Bi. "A computational study on H2S release and amide formation from thionoesters and cysteine". Organic & Biomolecular Chemistry 17, n.º 23 (2019): 5771–78. http://dx.doi.org/10.1039/c9ob00854c.
Texto completoTan, Sang Loon, Ainnul Hamidah Syahadah Azizan, Mukesh M. Jotani y Edward R. T. Tiekink. "3,3-Bis(2-hydroxyethyl)-1-(4-methylbenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 75, n.º 10 (12 de septiembre de 2019): 1472–78. http://dx.doi.org/10.1107/s2056989019012581.
Texto completoBandyopadhyay, Debashruti, Annaram Thirupathi, Nagsen Munjaji Dhage, Nirmala Mohanta y S. Peruncheralathan. "Nickel catalyzed site selective C–H functionalization of α-aryl-thioamides". Organic & Biomolecular Chemistry 16, n.º 35 (2018): 6405–9. http://dx.doi.org/10.1039/c8ob01712c.
Texto completoHenschel, Dagmar, Oliver Moers, Karna Wijaya, Andreas Wirth, Armand Blaschette y Peter G. Jones. "Polysulfonylamine, CLIII [1]. Schwache Wasserstoffbrücken mit aktivierten Methyldonoren: Kristallstrukturen von Cholinium-, Betainium- und Dimethyl[2-(dimethylamino)ethyl]ammonium-dimesylamid Polysulfonylamines, CLIII [1]. Weak Hydrogen Bonding with Activated Methyl Donors: Crystal Structures of Cholinium, Betainium and Dimethyl[2-(dimethylamino)ethyl]ammonium-dimesylamide". Zeitschrift für Naturforschung B 57, n.º 5 (1 de mayo de 2002): 534–46. http://dx.doi.org/10.1515/znb-2002-0510.
Texto completoKlein, Erik, Vladimír Lukeš, Zuzana Cibulková y Júlia Polovková. "Study of N–H, O–H, and S–H bond dissociation enthalpies and ionization potentials of substituted anilines, phenols, and thiophenols". Journal of Molecular Structure: THEOCHEM 758, n.º 2-3 (enero de 2006): 149–59. http://dx.doi.org/10.1016/j.theochem.2005.10.015.
Texto completoTan, Sang Loon y Edward R. T. Tiekink. "2,2′-(Disulfanediyl)dibenzoic acid N,N-dimethylformamide monosolvate: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 76, n.º 7 (26 de junio de 2020): 1150–57. http://dx.doi.org/10.1107/s2056989020008257.
Texto completoManawar, Rohit B., Mitesh B. Gondaliya, Manish K. Shah, Mukesh M. Jotani y Edward R. T. Tiekink. "2-{(1E)-[(E)-2-(2,6-Dichlorobenzylidene)hydrazin-1-ylidene]methyl}phenol: crystal structure, Hirshfeld surface analysis and computational study". Acta Crystallographica Section E Crystallographic Communications 75, n.º 10 (10 de septiembre de 2019): 1423–28. http://dx.doi.org/10.1107/s2056989019012349.
Texto completoYang, H. W. y B. M. Craven. "Charge Density Study of 2-Pyridone". Acta Crystallographica Section B Structural Science 54, n.º 6 (1 de diciembre de 1998): 912–20. http://dx.doi.org/10.1107/s0108768198006545.
Texto completoKaur, Rupinder preet, Damanjit Kaur y Ritika Sharma. "Substituent effect on N–H bond dissociation enthalpies of carbamates: a theoretical study". Canadian Journal of Chemistry 93, n.º 3 (marzo de 2015): 279–88. http://dx.doi.org/10.1139/cjc-2014-0326.
Texto completoGuimarães, Heloísa A. B., Paula C. Cardoso, Rafael A. Decurcio, Lúcio J. E. Monteiro, Letícia N. de Almeida, Wellington F. Martins y Ana Paula R. Magalhães. "Simplified Surface Treatments for Ceramic Cementation: Use of Universal Adhesive and Self-Etching Ceramic Primer". International Journal of Biomaterials 2018 (31 de diciembre de 2018): 1–7. http://dx.doi.org/10.1155/2018/2598073.
Texto completoBombicz, P., M. Czugler, A. Kálmán y I. Kapovits. "A database study of the bonding and conformation of bis-sulfonylamide/-imide moieties". Acta Crystallographica Section B Structural Science 52, n.º 4 (1 de agosto de 1996): 720–27. http://dx.doi.org/10.1107/s0108768196003977.
Texto completoRadu, Luana-Flavia, Amr A. A. Attia, Radu Silaghi-Dumitrescu, Alexandru Lupan y R. Bruce King. "Reversible complexation of ammonia by breaking a manganese–manganese bond in a manganese carbonyl ethylenedithiolate complex: a theoretical study of an unusual type of Lewis acid". Dalton Transactions 48, n.º 1 (2019): 324–32. http://dx.doi.org/10.1039/c8dt04217a.
Texto completoPasto, Daniel J. "A theoretical study on the modes of homolytic bond fragmentation in HnXYHm, HSXY and HS(O)XY systems". Journal of Molecular Structure 446, n.º 1-2 (abril de 1998): 75–92. http://dx.doi.org/10.1016/s0022-2860(97)00399-2.
Texto completoQIN, SONG, CHANGWEI HU y HUAQING YANG. "THEORETICAL STUDY ON THE MECHANISM OF THE REACTION OF Ni(d10 1S) + H2 + CO2 → NiCO + H2O". Journal of Theoretical and Computational Chemistry 04, n.º 02 (junio de 2005): 449–59. http://dx.doi.org/10.1142/s0219633605001593.
Texto completoKansiz, Sevgi, Digdem Tatlidil, Necmi Dege, Feyzi Alkim Aktas, Samir Osman Mohammed Al-Asbahy y Aysen Alaman Agar. "Crystal structure and molecular docking study of (E)-2-{[(E)-2-hydroxy-5-methylbenzylidene]hydrazinylidene}-1,2-diphenylethan-1-one". Acta Crystallographica Section E Crystallographic Communications 77, n.º 6 (28 de mayo de 2021): 658–62. http://dx.doi.org/10.1107/s2056989021005442.
Texto completoSun, Tao, Kejian Ma, Zhihua Chen, Jin Chen y Yuhao Zhu. "Experimental Study on Bond-Slip Behavior between H-Shaped Steel and Gypsum Cover in SGFCG". Journal of Engineering 2020 (25 de junio de 2020): 1–12. http://dx.doi.org/10.1155/2020/8738754.
Texto completoRemko, Milan. "Ab initio study of the configuration and protonation of thiocarbamic acid". Collection of Czechoslovak Chemical Communications 54, n.º 2 (1989): 297–302. http://dx.doi.org/10.1135/cccc19890297.
Texto completoJang, Eun-Yoo, Jung J. Kim y Doo-Yeol Yoo. "Dynamic Pullout Behavior of Multiple Steel Fibers in UHPC: Effects of Fiber Geometry, Inclination Angle, and Loading Rate". Materials 12, n.º 20 (15 de octubre de 2019): 3365. http://dx.doi.org/10.3390/ma12203365.
Texto completoYu, Sujing, Dongzhi Zhang, Wenjing Pan y Jingbin Zeng. "Adsorption of atmospheric gas molecules (NH3, H2S, CO, H2, CH4, NO, NO2, C6H6 and C3H6O) on two-dimensional polyimide with hydrogen bonding: a first-principles study". New Journal of Chemistry 45, n.º 11 (2021): 5240–51. http://dx.doi.org/10.1039/d0nj06013e.
Texto completoShunje, Kelly N., Boris B. Averkiev y Christer B. Aakeröy. "Influence of Multiple Binding Sites on the Supramolecular Assembly of N-[(3-pyridinylamino) Thioxomethyl] Carbamates". Molecules 27, n.º 12 (8 de junio de 2022): 3685. http://dx.doi.org/10.3390/molecules27123685.
Texto completoVahdani Alviri, Banafsheh, Mehrdad Pourayoubi, Abolghasem Farhadipour, Marek Nečas y Valerio Bertolasi. "A combined X-ray crystallography and theoretical study of N—H...OX (X is =P and —C) hydrogen bonds in two new structures with a (C—O)2(N)P(=Y) (Y is O and S) skeleton". Acta Crystallographica Section C Structural Chemistry 74, n.º 12 (13 de noviembre de 2018): 1610–21. http://dx.doi.org/10.1107/s2053229618014006.
Texto completoBorges dos Santos, Rui M., Vânia S. F. Muralha, Catarina F. Correia, Rita C. Guedes, Benedito J. Costa Cabral y José A. Martinho Simões. "S−H Bond Dissociation Enthalpies in Thiophenols: A Time-Resolved Photoacoustic Calorimetry and Quantum Chemistry Study†". Journal of Physical Chemistry A 106, n.º 42 (octubre de 2002): 9883–89. http://dx.doi.org/10.1021/jp025677i.
Texto completoFonseca, Beatriz Maria, Daphne Camara Barcellos, César Rogério Pucci, Eduardo Bresciani y Maria Amélia Máximo de Araújo. "Influence of chlorhexidine on longitudinal bond strength to dentin: in vitro study". Brazilian Dental Science 20, n.º 1 (20 de febrero de 2017): 17. http://dx.doi.org/10.14295/bds.2017.v20i1.1315.
Texto completoLi, Lijuan, Dajing Qin, Zhijun Xu y Yong Feng. "Study on Strengthening Mechanism of Epoxy Resin/Rubber Concrete Interface by Molecular Dynamics Simulation". Advances in Civil Engineering 2022 (11 de enero de 2022): 1–9. http://dx.doi.org/10.1155/2022/5100758.
Texto completoGrześkiewicz, Anita M., Agata Ostrowska, Dmytro Borzylo y Maciej Kubicki. "When solvent becomes reactant: a study of 6-aminothiocytosine derivatives". Acta Crystallographica Section C Structural Chemistry 76, n.º 10 (29 de septiembre de 2020): 992–99. http://dx.doi.org/10.1107/s2053229620012504.
Texto completoAnane, Hafid, Soufiane Houssame, Abdelali Guerraze, Abdeladim Guermoune, Abderrahim Boutalib, Abedellah Jarid, Ignacio Nebot-Gil y Francisco Tomás. "A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes". Open Chemistry 6, n.º 3 (1 de septiembre de 2008): 400–403. http://dx.doi.org/10.2478/s11532-008-0029-0.
Texto completoMcMullan, R. K., T. F. Koetzle y C. J. Fritchie. "Low-Temperature Neutron Diffraction Study of the Silver Perchlorate–Benzene π Complex". Acta Crystallographica Section B Structural Science 53, n.º 4 (1 de agosto de 1997): 645–53. http://dx.doi.org/10.1107/s0108768197000712.
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