Статті в журналах з теми "S-H Bond Study"
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Munshi, Parthapratim, Tejender S. Thakur, Tayur N. Guru Row, and Gautam R. Desiraju. "Five varieties of hydrogen bond in 1-formyl-3-thiosemicarbazide: an electron density study." Acta Crystallographica Section B Structural Science 62, no. 1 (January 17, 2006): 118–27. http://dx.doi.org/10.1107/s0108768105033689.
Повний текст джерелаKohli, Ruchi, and Rupinder Preet Kaur. "A Theoretical Study of Hydrogen-Bonded Complexes of Ethylene Glycol, Thioglycol and Dithioglycol with Water." Asian Journal of Chemistry 34, no. 1 (2021): 169–82. http://dx.doi.org/10.14233/ajchem.2022.23487.
Повний текст джерелаWood, Peter A., Elna Pidcock, and 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, no. 4 (July 10, 2008): 491–96. http://dx.doi.org/10.1107/s0108768108015437.
Повний текст джерелаNowroozi, A., H. Roohi, M. Poorsargol, P. Mohammadzadeh Jahani, H. Hajiabadi та H. Raissi. "NH···S and SH···N intramolecular hydrogen bond in β-thioaminoacrolein: A quantum chemical study". International Journal of Quantum Chemistry 111, № 12 (10 червня 2010): 3008–16. http://dx.doi.org/10.1002/qua.22615.
Повний текст джерелаSteiner, 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, no. 4 (August 1, 1998): 456–63. http://dx.doi.org/10.1107/s0108768197014821.
Повний текст джерелаLi, An Yong, Li Juan Cao, and Hong Bo Ji. "Theoretical study of H bonds of HArF and HF with isoelectronic systems N2, CO, and BF." Canadian Journal of Chemistry 88, no. 4 (April 2010): 352–61. http://dx.doi.org/10.1139/v10-004.
Повний текст джерелаYang, Yong. "Theoretical study of the SH···O blue-shifted hydrogen bond." International Journal of Quantum Chemistry 109, no. 2 (2009): 266–74. http://dx.doi.org/10.1002/qua.21691.
Повний текст джерелаRaissi, Heidar, Mehdi Yoosefian, Soheila Zamani, and 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, no. 1 (November 28, 2011): 75–85. http://dx.doi.org/10.1080/17415993.2011.635793.
Повний текст джерелаHützler, Wilhelm Maximilian, and Michael Bolte. "Five pseudopolymorphs of 6-amino-2-thiouracil: absence of N—H...S hydrogen bonds." Acta Crystallographica Section C Crystal Structure Communications 69, no. 1 (December 15, 2012): 93–100. http://dx.doi.org/10.1107/s010827011204930x.
Повний текст джерелаKruszynski, Rafal. "Intermolecular interactions in 2,4-dinitrophenylhydrazine hydrochloride hydrate: X-ray structural and quantum mechanical study." Open Chemistry 6, no. 4 (December 1, 2008): 542–48. http://dx.doi.org/10.2478/s11532-008-0067-7.
Повний текст джерелаRamegowda, Mariyappa, Keremegaladoddi N. Ranjitha, and 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, no. 3 (2016): 2211–19. http://dx.doi.org/10.1039/c5nj02917a.
Повний текст джерелаOkuniewski, Andrzej, Damian Rosiak, Jarosław Chojnacki, and 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, no. 1 (January 1, 2017): 52–56. http://dx.doi.org/10.1107/s2053229616019495.
Повний текст джерелаPoon, Clement, and 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, no. 1 (January 1, 2002): 25–30. http://dx.doi.org/10.1139/v01-185.
Повний текст джерелаHamzehee, Farahnaz, Mehrdad Pourayoubi, Marek Nečas, and 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, no. 3 (February 21, 2017): 287–97. http://dx.doi.org/10.1107/s2053229617001516.
Повний текст джерелаPavan, Mysore S., Sounak Sarkar, and 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, no. 4 (July 27, 2017): 626–33. http://dx.doi.org/10.1107/s2052520617008344.
Повний текст джерелаPaulus, Georgiana, Huey Chong Kwong, Karen A. Crouse, and 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, no. 8 (July 10, 2020): 1245–50. http://dx.doi.org/10.1107/s2056989020008762.
Повний текст джерелаKhairuanuar, Nadia Liyana, Karen A. Crouse, Huey Chong Kwong, Sang Loon Tan, and 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, no. 7 (June 2, 2020): 990–97. http://dx.doi.org/10.1107/s2056989020007070.
Повний текст джерелаTan, Ming Yueh, Huey Chong Kwong, Karen A. Crouse, Thahira B. S. A. Ravoof, and 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, no. 8 (July 13, 2021): 788–94. http://dx.doi.org/10.1107/s2056989021006666.
Повний текст джерелаSu, Xing-Xing, Xia-He Chen, De-Bo Ding, Yuan-Bin She, and Yun-Fang Yang. "Computational Exploration of Dirhodium Complex-Catalyzed Selective Intermolecular Amination of Tertiary vs. Benzylic C−H Bonds." Molecules 28, no. 4 (February 17, 2023): 1928. http://dx.doi.org/10.3390/molecules28041928.
Повний текст джерелаDege, Necmi, Md Serajul Haque Faizi, Onur Erman Doğan, Erbil Ağar, and 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, no. 6 (May 10, 2019): 770–73. http://dx.doi.org/10.1107/s205698901900642x.
Повний текст джерелаDjedouani, Amel, Barkahem Anak, Salima Tabti, Franck Cleymand, Michel François, and 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, no. 2 (January 16, 2018): 172–75. http://dx.doi.org/10.1107/s2056989018000919.
Повний текст джерелаTan, Sang Loon, Mukesh M. Jotani, and 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, no. 2 (January 7, 2020): 155–61. http://dx.doi.org/10.1107/s2056989019017328.
Повний текст джерелаDandárová, Miloslava, Daniel Végh, Jaroslav Kováč, Igor Goljer, Nadežda Prónayová, and Katarína Špirková. "1H and 13C NMR study of some substituted 2-furyl- and 2-thienylethylene derivatives." Collection of Czechoslovak Chemical Communications 51, no. 4 (1986): 889–98. http://dx.doi.org/10.1135/cccc19860889.
Повний текст джерелаJiang, Yuan-Ye, Ling Zhu, Xia Fan, Qi Zhang, Ya-Jie Fu, He Li, Bing Hu, and Siwei Bi. "A computational study on H2S release and amide formation from thionoesters and cysteine." Organic & Biomolecular Chemistry 17, no. 23 (2019): 5771–78. http://dx.doi.org/10.1039/c9ob00854c.
Повний текст джерелаTan, Sang Loon, Ainnul Hamidah Syahadah Azizan, Mukesh M. Jotani, and 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, no. 10 (September 12, 2019): 1472–78. http://dx.doi.org/10.1107/s2056989019012581.
Повний текст джерелаBandyopadhyay, Debashruti, Annaram Thirupathi, Nagsen Munjaji Dhage, Nirmala Mohanta та S. Peruncheralathan. "Nickel catalyzed site selective C–H functionalization of α-aryl-thioamides". Organic & Biomolecular Chemistry 16, № 35 (2018): 6405–9. http://dx.doi.org/10.1039/c8ob01712c.
Повний текст джерелаHenschel, Dagmar, Oliver Moers, Karna Wijaya, Andreas Wirth, Armand Blaschette, and 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, no. 5 (May 1, 2002): 534–46. http://dx.doi.org/10.1515/znb-2002-0510.
Повний текст джерелаKlein, Erik, Vladimír Lukeš, Zuzana Cibulková, and 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, no. 2-3 (January 2006): 149–59. http://dx.doi.org/10.1016/j.theochem.2005.10.015.
Повний текст джерелаTan, Sang Loon, and 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, no. 7 (June 26, 2020): 1150–57. http://dx.doi.org/10.1107/s2056989020008257.
Повний текст джерелаManawar, Rohit B., Mitesh B. Gondaliya, Manish K. Shah, Mukesh M. Jotani, and 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, no. 10 (September 10, 2019): 1423–28. http://dx.doi.org/10.1107/s2056989019012349.
Повний текст джерелаYang, H. W., and B. M. Craven. "Charge Density Study of 2-Pyridone." Acta Crystallographica Section B Structural Science 54, no. 6 (December 1, 1998): 912–20. http://dx.doi.org/10.1107/s0108768198006545.
Повний текст джерелаKaur, Rupinder preet, Damanjit Kaur, and Ritika Sharma. "Substituent effect on N–H bond dissociation enthalpies of carbamates: a theoretical study." Canadian Journal of Chemistry 93, no. 3 (March 2015): 279–88. http://dx.doi.org/10.1139/cjc-2014-0326.
Повний текст джерелаGuimarães, Heloísa A. B., Paula C. Cardoso, Rafael A. Decurcio, Lúcio J. E. Monteiro, Letícia N. de Almeida, Wellington F. Martins, and Ana Paula R. Magalhães. "Simplified Surface Treatments for Ceramic Cementation: Use of Universal Adhesive and Self-Etching Ceramic Primer." International Journal of Biomaterials 2018 (December 31, 2018): 1–7. http://dx.doi.org/10.1155/2018/2598073.
Повний текст джерелаBombicz, P., M. Czugler, A. Kálmán, and I. Kapovits. "A database study of the bonding and conformation of bis-sulfonylamide/-imide moieties." Acta Crystallographica Section B Structural Science 52, no. 4 (August 1, 1996): 720–27. http://dx.doi.org/10.1107/s0108768196003977.
Повний текст джерелаRadu, Luana-Flavia, Amr A. A. Attia, Radu Silaghi-Dumitrescu, Alexandru Lupan, and 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, no. 1 (2019): 324–32. http://dx.doi.org/10.1039/c8dt04217a.
Повний текст джерелаPasto, 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, no. 1-2 (April 1998): 75–92. http://dx.doi.org/10.1016/s0022-2860(97)00399-2.
Повний текст джерелаQIN, SONG, CHANGWEI HU, and 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, no. 02 (June 2005): 449–59. http://dx.doi.org/10.1142/s0219633605001593.
Повний текст джерелаKansiz, Sevgi, Digdem Tatlidil, Necmi Dege, Feyzi Alkim Aktas, Samir Osman Mohammed Al-Asbahy, and 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, no. 6 (May 28, 2021): 658–62. http://dx.doi.org/10.1107/s2056989021005442.
Повний текст джерелаSun, Tao, Kejian Ma, Zhihua Chen, Jin Chen, and Yuhao Zhu. "Experimental Study on Bond-Slip Behavior between H-Shaped Steel and Gypsum Cover in SGFCG." Journal of Engineering 2020 (June 25, 2020): 1–12. http://dx.doi.org/10.1155/2020/8738754.
Повний текст джерелаRemko, Milan. "Ab initio study of the configuration and protonation of thiocarbamic acid." Collection of Czechoslovak Chemical Communications 54, no. 2 (1989): 297–302. http://dx.doi.org/10.1135/cccc19890297.
Повний текст джерелаJang, Eun-Yoo, Jung J. Kim, and Doo-Yeol Yoo. "Dynamic Pullout Behavior of Multiple Steel Fibers in UHPC: Effects of Fiber Geometry, Inclination Angle, and Loading Rate." Materials 12, no. 20 (October 15, 2019): 3365. http://dx.doi.org/10.3390/ma12203365.
Повний текст джерелаYu, Sujing, Dongzhi Zhang, Wenjing Pan, and 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, no. 11 (2021): 5240–51. http://dx.doi.org/10.1039/d0nj06013e.
Повний текст джерелаShunje, Kelly N., Boris B. Averkiev, and Christer B. Aakeröy. "Influence of Multiple Binding Sites on the Supramolecular Assembly of N-[(3-pyridinylamino) Thioxomethyl] Carbamates." Molecules 27, no. 12 (June 8, 2022): 3685. http://dx.doi.org/10.3390/molecules27123685.
Повний текст джерелаVahdani Alviri, Banafsheh, Mehrdad Pourayoubi, Abolghasem Farhadipour, Marek Nečas, and 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, no. 12 (November 13, 2018): 1610–21. http://dx.doi.org/10.1107/s2053229618014006.
Повний текст джерелаBorges dos Santos, Rui M., Vânia S. F. Muralha, Catarina F. Correia, Rita C. Guedes, Benedito J. Costa Cabral, and 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, no. 42 (October 2002): 9883–89. http://dx.doi.org/10.1021/jp025677i.
Повний текст джерелаFonseca, Beatriz Maria, Daphne Camara Barcellos, César Rogério Pucci, Eduardo Bresciani, and Maria Amélia Máximo de Araújo. "Influence of chlorhexidine on longitudinal bond strength to dentin: in vitro study." Brazilian Dental Science 20, no. 1 (February 20, 2017): 17. http://dx.doi.org/10.14295/bds.2017.v20i1.1315.
Повний текст джерелаLi, Lijuan, Dajing Qin, Zhijun Xu, and Yong Feng. "Study on Strengthening Mechanism of Epoxy Resin/Rubber Concrete Interface by Molecular Dynamics Simulation." Advances in Civil Engineering 2022 (January 11, 2022): 1–9. http://dx.doi.org/10.1155/2022/5100758.
Повний текст джерелаGrześkiewicz, Anita M., Agata Ostrowska, Dmytro Borzylo, and Maciej Kubicki. "When solvent becomes reactant: a study of 6-aminothiocytosine derivatives." Acta Crystallographica Section C Structural Chemistry 76, no. 10 (September 29, 2020): 992–99. http://dx.doi.org/10.1107/s2053229620012504.
Повний текст джерелаAnane, Hafid, Soufiane Houssame, Abdelali Guerraze, Abdeladim Guermoune, Abderrahim Boutalib, Abedellah Jarid, Ignacio Nebot-Gil, and Francisco Tomás. "A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes." Open Chemistry 6, no. 3 (September 1, 2008): 400–403. http://dx.doi.org/10.2478/s11532-008-0029-0.
Повний текст джерелаMcMullan, R. K., T. F. Koetzle та C. J. Fritchie. "Low-Temperature Neutron Diffraction Study of the Silver Perchlorate–Benzene π Complex". Acta Crystallographica Section B Structural Science 53, № 4 (1 серпня 1997): 645–53. http://dx.doi.org/10.1107/s0108768197000712.
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