Статті в журналах з теми "Energetics - Theoretical Study"
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SHOUCRI, Rachad M. "Theoretical Study Related to Left Ventricular Energetics." Japanese Heart Journal 34, no. 4 (1993): 403–17. http://dx.doi.org/10.1536/ihj.34.403.
Повний текст джерелаTakeuchi, Jo, and Kyozaburo Takeda. "Theoretical Study on Proton Transfer and Energetics in Ammonium Nitrate (NH4NO3)n Cluster System." International Journal of Applied Physics and Mathematics 4, no. 1 (2014): 5–8. http://dx.doi.org/10.7763/ijapm.2014.v4.245.
Повний текст джерелаFengyou, Hao, Zhao Yongfang, Jing Xiaogong, Li Xinying, and Liu Fengli. "Theoretical study on structures and energetics of Ge2P2." Journal of Molecular Structure: THEOCHEM 764, no. 1-3 (May 2006): 47–52. http://dx.doi.org/10.1016/j.theochem.2006.02.002.
Повний текст джерелаSohn, Woon Yong, Tae Wu Kim, and Jae Shin Lee. "Structure and Energetics of C60O: A Theoretical Study." Journal of Physical Chemistry A 114, no. 4 (February 4, 2010): 1939–43. http://dx.doi.org/10.1021/jp9093386.
Повний текст джерелаAssadi, M. Hussein N., and Dorian A. H. Hanaor. "Theoretical study on copper's energetics and magnetism in TiO2 polymorphs." Journal of Applied Physics 113, no. 23 (June 21, 2013): 233913. http://dx.doi.org/10.1063/1.4811539.
Повний текст джерелаDeakyne, C. A., D. M. Knuth, M. Meot-Ner, C. M. Breneman, and J. F. Liebman. "Experimental and theoretical study of the energetics of trialkylsulfonium ions." Journal of Molecular Structure 485-486 (August 1999): 33–41. http://dx.doi.org/10.1016/s0022-2860(99)00040-x.
Повний текст джерелаAlamanova, Denitsa, Valeri G. Grigoryan, and Michael Springborg. "Theoretical Study of the Structure and Energetics of Silver Clusters." Journal of Physical Chemistry C 111, no. 34 (August 2007): 12577–87. http://dx.doi.org/10.1021/jp0717342.
Повний текст джерелаGalland, Nicolas, Yacine Hannachi, Dominick V. Lanzisera, and Lester Andrews. "Theoretical study of structures, energetics and vibrational properties of BC2H5 species." Chemical Physics 255, no. 2-3 (May 2000): 205–15. http://dx.doi.org/10.1016/s0301-0104(00)00091-4.
Повний текст джерелаLintuluoto, M. "Theoretical study on the structure and energetics of alkali halide clusters." Journal of Molecular Structure: THEOCHEM 540, no. 1-3 (May 2001): 177–92. http://dx.doi.org/10.1016/s0166-1280(00)00741-7.
Повний текст джерелаGalland, Nicolas, Yacine Hannachi, Dominick V. Lanzisera, and Lester Andrews. "Theoretical study of structures, energetics and vibrational properties of BC2H3 species." Chemical Physics 230, no. 2-3 (May 1998): 143–51. http://dx.doi.org/10.1016/s0301-0104(98)00050-0.
Повний текст джерелаAlexandrov, Vitaly, Niels Grønbech-Jensen, Alexandra Navrotsky, and Mark Asta. "Theoretical study of mixing energetics in homovalent fluorite-structured oxide solid solutions." Journal of Nuclear Materials 444, no. 1-3 (January 2014): 292–97. http://dx.doi.org/10.1016/j.jnucmat.2013.10.001.
Повний текст джерелаMiranda, Margarida S., Joaquim C. G. Esteves da Silva, Alvaro Castillo, Aaron T. Frank, Alexander Greer, Jodian A. Brown, Brittny C. Davis, and Joel F. Liebman. "Amino, ammonio and aminioethenes: a theoretical study of their structure and energetics." Journal of Physical Organic Chemistry 26, no. 8 (May 28, 2013): 613–25. http://dx.doi.org/10.1002/poc.3140.
Повний текст джерелаZhu, Weihua, and Ping Wu. "Surface energetics of hydroxyapatite: a DFT study." Chemical Physics Letters 396, no. 1-3 (September 2004): 38–42. http://dx.doi.org/10.1016/j.cplett.2004.08.006.
Повний текст джерелаSantos, Ana Filipa L. O. M., and Manuel A. V. Ribeiro da Silva. "Molecular Energetics of Alkyl Pyrrolecarboxylates: Calorimetric and Computational Study." Journal of Physical Chemistry A 117, no. 24 (June 5, 2013): 5195–204. http://dx.doi.org/10.1021/jp4032628.
Повний текст джерелаYeganegi, Saeed, Mahdi Forozani, Abas Ali Keshvari, and Mahmood Tajbakhsh. "Theoretical study of energetics and mechanisms of cis–trans interconversion of 1,3-diphenyltriazene." Journal of Molecular Structure: THEOCHEM 867, no. 1-3 (October 2008): 47–52. http://dx.doi.org/10.1016/j.theochem.2008.07.021.
Повний текст джерелаMinot, Christian, Bernard Bigot, and Atika Hariti. "A theoretical study of successive hydrogenations of small platinum clusters. Structure and energetics." Journal of the American Chemical Society 108, no. 2 (January 1986): 196–206. http://dx.doi.org/10.1021/ja00262a003.
Повний текст джерелаAlamanova, Denitsa, Valeri G. Grigoryan, and Michael Springborg. "Theoretical Study of Structure and Energetics of Gold Clusters with the EAM Method." Zeitschrift für Physikalische Chemie 220, no. 7_2006 (July 2006): 811–29. http://dx.doi.org/10.1524/zpch.2006.220.7.811.
Повний текст джерелаWaleed, Hadeer Q., Dániel Pecsmány, Marcell Csécsi, László Farkas, Béla Viskolcz, Zsolt Fejes, and Béla Fiser. "Experimental and Theoretical Study of Cyclic Amine Catalysed Urethane Formation." Polymers 14, no. 14 (July 13, 2022): 2859. http://dx.doi.org/10.3390/polym14142859.
Повний текст джерелаCheng, Shuming, and Jing Yang. "A Theoretical Study of Organotin Binding in Aromatase." International Journal of Molecular Sciences 24, no. 10 (May 18, 2023): 8954. http://dx.doi.org/10.3390/ijms24108954.
Повний текст джерелаMuralha, Vânia S. F., Rui M. Borges dos Santos, and José A. Martinho Simões. "Energetics of Alkylbenzyl Radicals: A Time-Resolved Photoacoustic Calorimetry Study." Journal of Physical Chemistry A 108, no. 6 (February 2004): 936–42. http://dx.doi.org/10.1021/jp036293a.
Повний текст джерелаTsuchiyama, Noriko, and Takahiro Harada. "2P146 Theoretical study of processivity and energetics of molecular motors(Molecular motors,Poster Presentations)." Seibutsu Butsuri 47, supplement (2007): S149. http://dx.doi.org/10.2142/biophys.47.s149_3.
Повний текст джерелаSiegbahn, Per E. M., Margareta R. A. Blomberg, and Mattias L. Blomberg. "Theoretical Study of the Energetics of Proton Pumping and Oxygen Reduction in Cytochrome Oxidase." Journal of Physical Chemistry B 107, no. 39 (October 2003): 10946–55. http://dx.doi.org/10.1021/jp035486v.
Повний текст джерелаYoshiya, Masato, Isao Tanaka, Hirohiko Adachi, and Rowland M. Cannon. "Theoretical study on the structure and energetics of intergranular glassy film in Si3N4-SiO2ceramics." International Journal of Materials Research 101, no. 1 (January 2010): 57–65. http://dx.doi.org/10.3139/146.110240.
Повний текст джерелаGerman, Ernst D., Moshe Sheintuch, and Alexander M. Kuznetsov. "Subsurface Incorporation of Oxygen into Palladium(111): A Theoretical Study of Energetics and Kinetics." Journal of Physical Chemistry C 113, no. 34 (August 4, 2009): 15326–36. http://dx.doi.org/10.1021/jp904758x.
Повний текст джерелаGhosh, Abhik, and Knut Jynge. "Molecular Structures and Energetics of Corrole Isomers: A Comprehensive Local Density Functional Theoretical Study." Chemistry - A European Journal 3, no. 5 (May 1997): 823–33. http://dx.doi.org/10.1002/chem.19970030523.
Повний текст джерелаShi, Tan-Hao, Shuo Tong, Lei Jiao, and Mei-Xiang Wang. "A Theoretical Study on the Macrocyclic Strain of Zigzag Molecular Belts." Organic Materials 02, no. 04 (October 2020): 300–305. http://dx.doi.org/10.1055/s-0040-1718934.
Повний текст джерелаMorais, Victor M. F., Clara C. S. Sousa, and M. Agostinha R. Matos. "Experimental and computational study of the energetics of methoxycoumarins." Journal of Molecular Structure: THEOCHEM 946, no. 1-3 (April 2010): 13–19. http://dx.doi.org/10.1016/j.theochem.2009.11.036.
Повний текст джерелаShin, Hyeondeok, Sinabro Kang, Jahyun Koo, Hoonkyung Lee, Jeongnim Kim, and Yongkyung Kwon. "Cohesion energetics of carbon allotropes: Quantum Monte Carlo study." Journal of Chemical Physics 140, no. 11 (March 21, 2014): 114702. http://dx.doi.org/10.1063/1.4867544.
Повний текст джерелаGulati, Shikha, Divya Lamba, and H. C. Tandon. "Molecular Orbital Study of Flouroaryl Substituted Amino-Borane Dimers: Geometry, Energetics and Reactivity." Asian Journal of Chemistry 31, no. 8 (June 28, 2019): 1785–90. http://dx.doi.org/10.14233/ajchem.2019.21976.
Повний текст джерелаFreitas, Vera L. S., José R. B. Gomes, and Maria D. M. C. Ribeiro da Silva. "Molecular energetics of 4-methyldibenzothiophene: An experimental study." Journal of Chemical Thermodynamics 42, no. 2 (February 2010): 251–55. http://dx.doi.org/10.1016/j.jct.2009.08.010.
Повний текст джерелаGe, Qingfeng. "Structure and Energetics of LiBH4and Its Surfaces: A First-Principles Study†." Journal of Physical Chemistry A 108, no. 41 (October 2004): 8682–90. http://dx.doi.org/10.1021/jp048829d.
Повний текст джерелаGomes, José R. B., Maria D. M. C. Ribeiro da Silva, Vera L. S. Freitas, and Manuel A. V. Ribeiro da Silva. "Molecular Energetics of Cytosine Revisited: A Joint Computational and Experimental Study." Journal of Physical Chemistry A 111, no. 30 (August 2007): 7237–42. http://dx.doi.org/10.1021/jp0729009.
Повний текст джерелаAdaikala Baskar, A. Justin, R. Kumar, R. Vijay Solomon, Mahesh Sundararajan, Venu Kannappan, D. Roop Singh, and M. Jaccob. "Ultrasonic, spectrophotometric and theoretical studies of sigma and PI interactions of iodine with substituted benzene." RSC Advances 5, no. 56 (2015): 44873–85. http://dx.doi.org/10.1039/c5ra03297k.
Повний текст джерелаReid, Joshua E. S. J., Filipe Agapito, Carlos E. S. Bernardes, Filomena Martins, Adam J. Walker, Seishi Shimizu, and Manuel E. Minas da Piedade. "Structure–property relationships in protic ionic liquids: a thermochemical study." Physical Chemistry Chemical Physics 19, no. 30 (2017): 19928–36. http://dx.doi.org/10.1039/c7cp02230a.
Повний текст джерелаKiss, Janos, Thomas Gruhn, Guido Roma, and Claudia Felser. "Theoretical Study on the Structure and Energetics of Cd Insertion and Cu Depletion of CuIn5Se8." Journal of Physical Chemistry C 117, no. 21 (May 15, 2013): 10892–900. http://dx.doi.org/10.1021/jp312467f.
Повний текст джерелаGronowski, Marcin, Robert Kołos, and Joanna Sadlej. "Structure, Energetics, and Infrared Spectra of Weakly Bound HC2n+1N···HCl Complexes. A Theoretical Study." Journal of Physical Chemistry A 116, no. 23 (May 31, 2012): 5665–73. http://dx.doi.org/10.1021/jp300778j.
Повний текст джерелаSargent, A. "Enzyme-catalyzed enolization reactions: a theoretical study on the energetics of concerted and stepwise pathways." Journal of Molecular Structure: THEOCHEM 388, no. 1-3 (December 11, 1996): 145–59. http://dx.doi.org/10.1016/s0166-1280(96)04680-5.
Повний текст джерелаSargent, Andrew L., Mark E. Rollog, Jan E. Almlöf, Paul G. Gassman, and John A. Gerlt. "Enzyme-catalyzed enolization reactions: a theoretical study on the energetics of concerted and stepwise pathways." Journal of Molecular Structure: THEOCHEM 388 (December 1996): 145–59. http://dx.doi.org/10.1016/s0166-1280(96)80028-5.
Повний текст джерелаRoszak, Szczepan, Robert Gora, and Jerzy Leszczynski. "A theoretical study of the structures and energetics of O−Ar (n=1–6) clusters." Chemical Physics Letters 313, no. 1-2 (November 1999): 198–204. http://dx.doi.org/10.1016/s0009-2614(99)01053-2.
Повний текст джерелаGontrani, L., B. Mennucci, and J. Tomasi. "Glycine and alanine: a theoretical study of solvent effects upon energetics and molecular response properties." Journal of Molecular Structure: THEOCHEM 500, no. 1-3 (April 2000): 113–27. http://dx.doi.org/10.1016/s0166-1280(00)00390-0.
Повний текст джерелаWang, Liming, and Jingsong Zhang. "Structures and energetics of SiGeHz0,+1, Ge2Hz0,+1, and Si2Hz0,+1: A systematic theoretical study." International Journal of Mass Spectrometry 311 (February 2012): 56–63. http://dx.doi.org/10.1016/j.ijms.2011.12.005.
Повний текст джерелаDe, Debduti, Sudipta Dalai, and Bhudeb De. "Structure, energetics and properties of some molecules with potent anti-HIV activity: a theoretical study." Molecular Simulation 36, no. 6 (May 2010): 434–47. http://dx.doi.org/10.1080/17458080903583931.
Повний текст джерелаLing, Yun, and Chava Lifshitz. "Energetics of the cyclo(Pro-Gly) cation fragmentation: a mass spectrometric study and theoretical calculations." Journal of Mass Spectrometry 33, no. 1 (January 1998): 25–34. http://dx.doi.org/10.1002/(sici)1096-9888(199801)33:1<25::aid-jms604>3.0.co;2-s.
Повний текст джерелаEdson, Adam R., and Peter R. Bannon. "Nonlinear Atmospheric Adjustment to Momentum Forcing." Journal of the Atmospheric Sciences 65, no. 3 (March 1, 2008): 953–69. http://dx.doi.org/10.1175/2007jas2278.1.
Повний текст джерелаFan, Yalin, and Zhitao Yu. "Surface Gravity Wave Effect on Hurricane Energetics." Atmosphere 13, no. 2 (February 7, 2022): 279. http://dx.doi.org/10.3390/atmos13020279.
Повний текст джерелаRibeiro da Silva, Manuel A. V., Joana I. T. A. Cabral, and José R. B. Gomes. "Experimental and Computational Study on the Molecular Energetics of Indoline and Indole." Journal of Physical Chemistry A 112, no. 47 (November 27, 2008): 12263–69. http://dx.doi.org/10.1021/jp8065212.
Повний текст джерелаHarkless, John A. W., and Joseph S. Francisco. "Bond Dissocation and Conformational Energetics of Tetrasulfur: A Quantum Monte Carlo Study†." Journal of Physical Chemistry A 112, no. 10 (March 2008): 2088–92. http://dx.doi.org/10.1021/jp076376h.
Повний текст джерелаKaur, Gagandeep, Shuchi Gupta, Pooja Rani, and Keya Dharamvir. "Theoretical investigation of structures and energetics of sodium adatom and its dimer on graphene: DFT study." Physica E: Low-dimensional Systems and Nanostructures 74 (November 2015): 87–92. http://dx.doi.org/10.1016/j.physe.2015.06.014.
Повний текст джерелаBelosludov, R. V., Zhi-Qiang Li, and Yoshiyuki Kawazoe. "Theoretical study of structures, energetics, and electronic properties of small urea clusters by ab initio calculations." Journal of Inorganic Biochemistry 67, no. 1-4 (July 1997): 453. http://dx.doi.org/10.1016/s0162-0134(97)80313-3.
Повний текст джерелаZhao, Wen, and Feng Ding. "Energetics and kinetics of phase transition between a 2H and a 1T MoS2monolayer—a theoretical study." Nanoscale 9, no. 6 (2017): 2301–9. http://dx.doi.org/10.1039/c6nr08628d.
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