Item request has been placed!

Item request cannot be made.

Processing Request

نتائج البحث

Display Settings

النتائج لكل صفحة: 10

Sort By: Relevance

Filter

فلترة النتائج

إعادة تعيين خيارات الفبترة

Item request has been placed!

Item request cannot be made.

Processing Request

Academic Journal

Reactivity of Nitroalkyl Anions Addition to Substituted Benzylidenecyanoacetates: Electrophilicity Parameters and Free Energy Relationships.

Authors : Azaiez, K.¹; Dhahri, N.¹; Boubaker, T.¹

Source: International Journal of Chemical Kinetics. Dec2017, Vol. 49 Issue 12, p847-858. 12p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Variational Characterization of Free Energy: Theory and Algorithms.

Authors : Hartmann, Carsten¹ ; Richter, Lorenz¹ ; Schütte, Christof^2,3

Source: Entropy. Nov2017, Vol. 19 Issue 11, p626. 27p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Dynamical Instability Causes the Demise of a Supercooled Tetrahedral Liquid.

Authors : Gautam, Arvind¹; Pingua, Nandlal¹; Goyal, Aashish¹

Source: Journal of Statistical Physics. Sep2017, Vol. 168 Issue 6, p1302-1318. 17p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

ON CHRONICLE AND RECENT EXPLOIT OF A SPECIAL CLONE OF FREE ENERGY (HYPER) BENEFICIAL TO THERMODYNAMIC DESCRIPTION OF PARTIALLY OPEN GEOLOGICAL, METALLURGICAL AND OTHER NONSTOICHIOMETRIC SYSTEMS.

Authors : Šesták, J.¹

Source: Journal of Mining & Metallurgy. Section B: Metallurgy. 2017, Vol. 53 Issue 3, p249-254. 6p. 1 Black and White Photograph.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Some problems of characterization of a solid surface via the surface free energy changes.

Authors : Chibowski, Emil¹

Source: Adsorption Science & Technology. Aug-Oct2017, Vol. 35 Issue 7/8, p647-659. 13p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

Authors : Westermaier, Yvonne; Ruiz-Carmona, Sergio¹; Theret, Isabelle²

Source: Journal of Computer-Aided Molecular Design. Aug2017, Vol. 31 Issue 8, p755-775. 21p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

A free energy study of the liquid-liquid phase transition of the Jagla two-scale potential.

Authors : Ricci, Francesco; Debenedetti, Pablo¹

Source: Journal of Chemical Sciences. Jul2017, Vol. 129 Issue 7, p801-823. 23p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations.

Authors : Escatllar, Antoni Macià¹ ; Ugliengo, Piero² ; Bromley, Stefan T.^1,3

Source: Inorganics. 2017, Vol. 5 Issue 3, p41. 12p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Comparison of DFT, MP2/CBS, and CCSD(T)/CBS methods for a dual-level QM/MM Monte Carlo simulation approach calculating the free energy of activation of reactions in solution and 'on water': a case study.

Authors : Li, Miao¹; Yang, Xin¹; Xue, Ying¹

Source: Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Jun2017, Vol. 136 Issue 6, p1-9. 9p.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

Academic Journal

Lattice Instabilities and Phase Transformations in Fe from Atomistic Simulations.

Authors : Cuppari, M.¹ ; Veiga, R.¹; Goldenstein, H.²

Source: Journal of Phase Equilibria & Diffusion. Jun2017, Vol. 38 Issue 3, p185-194. 10p. 9 Color Photographs, 5 Graphs.

تفاصيل العنوان

اقرأ على الانترنت اقرأ أكثر حفظ في قائمتي

نتائج البحث

فلترة النتائج

Reactivity of Nitroalkyl Anions Addition to Substituted Benzylidenecyanoacetates: Electrophilicity Parameters and Free Energy Relationships.

Variational Characterization of Free Energy: Theory and Algorithms.

Dynamical Instability Causes the Demise of a Supercooled Tetrahedral Liquid.

ON CHRONICLE AND RECENT EXPLOIT OF A SPECIAL CLONE OF FREE ENERGY (HYPER) BENEFICIAL TO THERMODYNAMIC DESCRIPTION OF PARTIALLY OPEN GEOLOGICAL, METALLURGICAL AND OTHER NONSTOICHIOMETRIC SYSTEMS.

Some problems of characterization of a solid surface via the surface free energy changes.

Binding mode prediction and MD/MMPBSA-based free energy ranking for agonists of REV-ERBα/NCoR.

A free energy study of the liquid-liquid phase transition of the Jagla two-scale potential.

Computing Free Energies of Hydroxylated Silica Nanoclusters: Forcefield versus Density Functional Calculations.

Comparison of DFT, MP2/CBS, and CCSD(T)/CBS methods for a dual-level QM/MM Monte Carlo simulation approach calculating the free energy of activation of reactions in solution and 'on water': a case study.

Lattice Instabilities and Phase Transformations in Fe from Atomistic Simulations.

اتصل بنا

اتبع