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