Advanced Search
Display options
Filter resources
Text Availability
Article type
Publication date
Species
Language
Sex
Age
Showing 1 to 12 of 564 entries
Sorted by: Best Match Show Resources per page
THF exchange and molecular dynamics in the series (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t) and BDI = 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene.

Inorganic chemistry

Chisholm MH, Choojun K, Chow AS, Fraenkel G, Gallucci JC.
PMID: 24066833
Inorg Chem. 2013 Oct 07;52(19):11302-10. doi: 10.1021/ic401559b. Epub 2013 Sep 25.

The complexes (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t), are shown to undergo THF exchange at low added concentrations of THF by a dissociative mechanism: X = Bu(n), ΔH(#) (kcal mol(-1)) = 13.4 ± 0.4 and ΔS(#) (cal...

Cite
Chisholm MH, Choojun K, Chow AS, et al. THF exchange and molecular dynamics in the series (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t) and BDI = 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. Inorg Chem. 2013;52(19):11302-10doi: 10.1021/ic401559b.
Chisholm, M. H., Choojun, K., Chow, A. S., Fraenkel, G., & Gallucci, J. C. (2013). THF exchange and molecular dynamics in the series (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t) and BDI = 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. Inorganic chemistry, 52(19), 11302-10. https://doi.org/10.1021/ic401559b
Chisholm, Malcolm H, et al. "THF exchange and molecular dynamics in the series (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t) and BDI = 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene." Inorganic chemistry vol. 52,19 (2013): 11302-10. doi: https://doi.org/10.1021/ic401559b
Chisholm MH, Choojun K, Chow AS, Fraenkel G, Gallucci JC. THF exchange and molecular dynamics in the series (BDI)MgX(THF), where X = Bu(n), NEt2, and OBu(t) and BDI = 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. Inorg Chem. 2013 Oct 07;52(19):11302-10. doi: 10.1021/ic401559b. Epub 2013 Sep 25. PMID: 24066833.
Copy Download .nbib Format: NLM
Self-assembly protocol design for periodic multicomponent structures.

Soft matter

Jacobs WM, Frenkel D.
PMID: 26404794
Soft Matter. 2015 Dec 14;11(46):8930-8. doi: 10.1039/c5sm01841b.

Assembling molecular superstructures with many distinct components will allow unprecedented control over morphology at the nanoscale. Recently, this approach has been used to assemble periodic structures with precisely defined features, such as repeating arrays of pores and channels, using...

Cite
Jacobs WM, Frenkel D. Self-assembly protocol design for periodic multicomponent structures. Soft Matter. 2015;11(46):8930-8doi: 10.1039/c5sm01841b.
Jacobs, W. M., & Frenkel, D. (2015). Self-assembly protocol design for periodic multicomponent structures. Soft matter, 11(46), 8930-8. https://doi.org/10.1039/c5sm01841b
Jacobs, William M, and Frenkel, Daan. "Self-assembly protocol design for periodic multicomponent structures." Soft matter vol. 11,46 (2015): 8930-8. doi: https://doi.org/10.1039/c5sm01841b
Jacobs WM, Frenkel D. Self-assembly protocol design for periodic multicomponent structures. Soft Matter. 2015 Dec 14;11(46):8930-8. doi: 10.1039/c5sm01841b. PMID: 26404794.
Copy Download .nbib Format: NLM
Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 1. Activity coefficients.

Journal of chemical theory and computation

Fraenkel D.
PMID: 26574216
J Chem Theory Comput. 2015 Jan 13;11(1):178-92. doi: 10.1021/ct5006938.

The present study compares the Monte Carlo (MC) simulation of the primitive model (PM) ( Abbas, Z. et al. J. Phys. Chem. B 2009 , 113 , 5905 ), by which activity coefficients of many binary ionic solutions have...

Cite
Fraenkel D. Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 1. Activity coefficients. J Chem Theory Comput. 2015;11(1):178-92doi: 10.1021/ct5006938.
Fraenkel, D. (2015). Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 1. Activity coefficients. Journal of chemical theory and computation, 11(1), 178-92. https://doi.org/10.1021/ct5006938
Fraenkel, Dan. "Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 1. Activity coefficients." Journal of chemical theory and computation vol. 11,1 (2015): 178-92. doi: https://doi.org/10.1021/ct5006938
Fraenkel D. Computing excess functions of ionic solutions: the smaller-ion shell model versus the primitive model. 1. Activity coefficients. J Chem Theory Comput. 2015 Jan 13;11(1):178-92. doi: 10.1021/ct5006938. PMID: 26574216.
Copy Download .nbib Format: NLM
Small Levitating Ordered Droplet Clusters: Stability, Symmetry, and Voronoi Entropy.

The journal of physical chemistry letters

Fedorets AA, Frenkel M, Bormashenko E, Nosonovsky M.
PMID: 29087715
J Phys Chem Lett. 2017 Nov 16;8(22):5599-5602. doi: 10.1021/acs.jpclett.7b02657. Epub 2017 Nov 03.

A method to generate levitating monodisperse microdroplet clusters with an arbitrary number of identical droplets is presented. Clusters with 1-28 droplets levitate over a locally heated water layer in an ascending vapor-air jet. Due to the attraction to the...

Cite
Fedorets AA, Frenkel M, Bormashenko E, et al. Small Levitating Ordered Droplet Clusters: Stability, Symmetry, and Voronoi Entropy. J Phys Chem Lett. 2017;8(22):5599-5602doi: 10.1021/acs.jpclett.7b02657.
Fedorets, A. A., Frenkel, M., Bormashenko, E., & Nosonovsky, M. (2017). Small Levitating Ordered Droplet Clusters: Stability, Symmetry, and Voronoi Entropy. The journal of physical chemistry letters, 8(22), 5599-5602. https://doi.org/10.1021/acs.jpclett.7b02657
Fedorets, Alexander A, et al. "Small Levitating Ordered Droplet Clusters: Stability, Symmetry, and Voronoi Entropy." The journal of physical chemistry letters vol. 8,22 (2017): 5599-5602. doi: https://doi.org/10.1021/acs.jpclett.7b02657
Fedorets AA, Frenkel M, Bormashenko E, Nosonovsky M. Small Levitating Ordered Droplet Clusters: Stability, Symmetry, and Voronoi Entropy. J Phys Chem Lett. 2017 Nov 16;8(22):5599-5602. doi: 10.1021/acs.jpclett.7b02657. Epub 2017 Nov 03. PMID: 29087715.
Copy Download .nbib Format: NLM
Computational methodology for solubility prediction: Application to the sparingly soluble solutes.

The Journal of chemical physics

Li L, Totton T, Frenkel D.
PMID: 28595415
J Chem Phys. 2017 Jun 07;146(21):214110. doi: 10.1063/1.4983754.

The solubility of a crystalline substance in the solution can be estimated from its absolute solid free energy and excess solvation free energy. Here, we present a numerical method, which enables convenient solubility estimation of general molecular crystals at...

Cite
Li L, Totton T, Frenkel D. Computational methodology for solubility prediction: Application to the sparingly soluble solutes. J Chem Phys. 2017;146(21):214110doi: 10.1063/1.4983754.
Li, L., Totton, T., & Frenkel, D. (2017). Computational methodology for solubility prediction: Application to the sparingly soluble solutes. The Journal of chemical physics, 146(21), 214110. https://doi.org/10.1063/1.4983754
Li, Lunna, et al. "Computational methodology for solubility prediction: Application to the sparingly soluble solutes." The Journal of chemical physics vol. 146,21 (2017): 214110. doi: https://doi.org/10.1063/1.4983754
Li L, Totton T, Frenkel D. Computational methodology for solubility prediction: Application to the sparingly soluble solutes. J Chem Phys. 2017 Jun 07;146(21):214110. doi: 10.1063/1.4983754. PMID: 28595415.
Copy Download .nbib Format: NLM
Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations.

Soft matter

Vila Verde A, Frenkel D.
PMID: 27199094
Soft Matter. 2016 Jun 21;12(23):5172-9. doi: 10.1039/c6sm00763e. Epub 2016 May 20.

We examine the mechanism of formation of micelles of dihydroxy bile salts using a coarse-grained, implicit solvent model and Langevin dynamics simulations. We find that bile salt micelles primarily form via addition and removal of monomers, similarly to surfactants...

Cite
Vila Verde A, Frenkel D. Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations. Soft Matter. 2016;12(23):5172-9doi: 10.1039/c6sm00763e.
Vila Verde, A., & Frenkel, D. (2016). Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations. Soft matter, 12(23), 5172-9. https://doi.org/10.1039/c6sm00763e
Vila Verde, Ana, and Frenkel, Daan. "Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations." Soft matter vol. 12,23 (2016): 5172-9. doi: https://doi.org/10.1039/c6sm00763e
Vila Verde A, Frenkel D. Kinetics of formation of bile salt micelles from coarse-grained Langevin dynamics simulations. Soft Matter. 2016 Jun 21;12(23):5172-9. doi: 10.1039/c6sm00763e. Epub 2016 May 20. PMID: 27199094.
Copy Download .nbib Format: NLM
Defect-Free Carbon Nanotube Coils.

Nano letters

Shadmi N, Kremen A, Frenkel Y, Lapin ZJ, Machado LD, Legoas SB, Bitton O, Rechav K, Popovitz-Biro R, Galvão DS, Jorio A, Novotny L, Kalisky B, Joselevich E.
PMID: 26708150
Nano Lett. 2016 Apr 13;16(4):2152-8. doi: 10.1021/acs.nanolett.5b03417. Epub 2015 Dec 30.

Carbon nanotubes are promising building blocks for various nanoelectronic components. A highly desirable geometry for such applications is a coil. However, coiled nanotube structures reported so far were inherently defective or had no free ends accessible for contacting. Here...

Cite
Shadmi N, Kremen A, Frenkel Y, et al. Defect-Free Carbon Nanotube Coils. Nano Lett. 2015;16(4):2152-8doi: 10.1021/acs.nanolett.5b03417.
Shadmi, N., Kremen, A., Frenkel, Y., Lapin, Z. J., Machado, L. D., Legoas, S. B., Bitton, O., Rechav, K., Popovitz-Biro, R., Galvão, D. S., Jorio, A., Novotny, L., Kalisky, B., & Joselevich, E. (2016). Defect-Free Carbon Nanotube Coils. Nano letters, 16(4), 2152-8. https://doi.org/10.1021/acs.nanolett.5b03417
Shadmi, Nitzan, et al. "Defect-Free Carbon Nanotube Coils." Nano letters vol. 16,4 (2016): 2152-8. doi: https://doi.org/10.1021/acs.nanolett.5b03417
Shadmi N, Kremen A, Frenkel Y, Lapin ZJ, Machado LD, Legoas SB, Bitton O, Rechav K, Popovitz-Biro R, Galvão DS, Jorio A, Novotny L, Kalisky B, Joselevich E. Defect-Free Carbon Nanotube Coils. Nano Lett. 2016 Apr 13;16(4):2152-8. doi: 10.1021/acs.nanolett.5b03417. Epub 2015 Dec 30. PMID: 26708150.
Copy Download .nbib Format: NLM
Influence of atomic modeling on integrated simulations of laser-produced Au plasmas.

Physical review. E, Statistical, nonlinear, and soft matter physics

Frank Y, Raicher E, Ehrlich Y, Hurvitz G, Shpilman Z, Fraenkel M, Zigler A, Henis Z.
PMID: 26651806
Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Nov;92(5):053111. doi: 10.1103/PhysRevE.92.053111. Epub 2015 Nov 25.

Time-integrated x-ray emission spectra of laser-irradiated Au disks were recorded using transmission grating spectrometry, at laser intensities of 10(13) to 10(14) W/cm(2). Radiation-hydrodynamics and atomic physics calculations were used to simulate the emitted spectra. Three major plasma regions can...

Cite
Frank Y, Raicher E, Ehrlich Y, et al. Influence of atomic modeling on integrated simulations of laser-produced Au plasmas. Phys Rev E Stat Nonlin Soft Matter Phys. 2015;92(5):053111doi: 10.1103/PhysRevE.92.053111.
Frank, Y., Raicher, E., Ehrlich, Y., Hurvitz, G., Shpilman, Z., Fraenkel, M., Zigler, A., & Henis, Z. (2015). Influence of atomic modeling on integrated simulations of laser-produced Au plasmas. Physical review. E, Statistical, nonlinear, and soft matter physics, 92(5), 053111. https://doi.org/10.1103/PhysRevE.92.053111
Frank, Yechiel, et al. "Influence of atomic modeling on integrated simulations of laser-produced Au plasmas." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 92,5 (2015): 053111. doi: https://doi.org/10.1103/PhysRevE.92.053111
Frank Y, Raicher E, Ehrlich Y, Hurvitz G, Shpilman Z, Fraenkel M, Zigler A, Henis Z. Influence of atomic modeling on integrated simulations of laser-produced Au plasmas. Phys Rev E Stat Nonlin Soft Matter Phys. 2015 Nov;92(5):053111. doi: 10.1103/PhysRevE.92.053111. Epub 2015 Nov 25. PMID: 26651806.
Copy Download .nbib Format: NLM
Synthesis of Nanoparticle Assemblies: general discussion.

Faraday discussions

Som M, Majumdar S, Bachhar N, Kumaraswamy G, Pavan Kumar GV, Manoharan VN, Kumar S, Basavaraj MG, Kulkarni S, Bandyopadhyay R, Punnathanam S, Medhi H, Srivastav A, Frenkel D, Tripathy M, Eiser E, Gonzalez-Garcia L, Roy Chowdhury P, Singh J, Sridurai V, Edwards A, Prasad BL, Singh AK, Bockstaller M, John NS, Seth J, Misra M, Chakravarty C, Shinde V, Bandyopadhyaya R, Jestin J, Poojari R, Kotov N, Gang O, Karim A, Ju-Nam Y, Granick S, Chervinskii S, Tao A.
PMID: 27042810
Faraday Discuss. 2016;186:123-52. doi: 10.1039/C6FD90001A.

No abstract available.

Cite
Som M, Majumdar S, Bachhar N, et al. Synthesis of Nanoparticle Assemblies: general discussion. Faraday Discuss. 2016;186:123-52doi: 10.1039/C6FD90001A.
Som, M., Majumdar, S., Bachhar, N., Kumaraswamy, G., Pavan Kumar, G. V., Manoharan, V. N., Kumar, S., Basavaraj, M. G., Kulkarni, S., Bandyopadhyay, R., Punnathanam, S., Medhi, H., Srivastav, A., Frenkel, D., Tripathy, M., Eiser, E., Gonzalez-Garcia, L., Roy Chowdhury, P., Singh, J., Sridurai, V., Edwards, A., Prasad, B. L., Singh, A. K., Bockstaller, M., John, N. S., Seth, J., Misra, M., Chakravarty, C., Shinde, V., Bandyopadhyaya, R., Jestin, J., Poojari, R., Kotov, N., Gang, O., Karim, A., Ju-Nam, Y., Granick, S., Chervinskii, S., & Tao, A. (2016). Synthesis of Nanoparticle Assemblies: general discussion. Faraday discussions, 186123-52. https://doi.org/10.1039/C6FD90001A
Som, Madhura, et al. "Synthesis of Nanoparticle Assemblies: general discussion." Faraday discussions vol. 186 (2016): 123-52. doi: https://doi.org/10.1039/C6FD90001A
Som M, Majumdar S, Bachhar N, Kumaraswamy G, Pavan Kumar GV, Manoharan VN, Kumar S, Basavaraj MG, Kulkarni S, Bandyopadhyay R, Punnathanam S, Medhi H, Srivastav A, Frenkel D, Tripathy M, Eiser E, Gonzalez-Garcia L, Roy Chowdhury P, Singh J, Sridurai V, Edwards A, Prasad BL, Singh AK, Bockstaller M, John NS, Seth J, Misra M, Chakravarty C, Shinde V, Bandyopadhyaya R, Jestin J, Poojari R, Kotov N, Gang O, Karim A, Ju-Nam Y, Granick S, Chervinskii S, Tao A. Synthesis of Nanoparticle Assemblies: general discussion. Faraday Discuss. 2016;186:123-52. doi: 10.1039/C6FD90001A. PMID: 27042810.
Copy Download .nbib Format: NLM
Rational design of molecularly imprinted polymers.

Soft matter

Curk T, Dobnikar J, Frenkel D.
PMID: 26452006
Soft Matter. 2016 Jan 07;12(1):35-44. doi: 10.1039/c5sm02144h.

Molecular imprinting is the process whereby a polymer matrix is cross-linked in the presence of molecules with surface sites that can bind selectively to certain ligands on the polymer. The cross-linking process endows the polymer matrix with a chemical...

Cite
Curk T, Dobnikar J, Frenkel D. Rational design of molecularly imprinted polymers. Soft Matter. 2016;12(1):35-44doi: 10.1039/c5sm02144h.
Curk, T., Dobnikar, J., & Frenkel, D. (2016). Rational design of molecularly imprinted polymers. Soft matter, 12(1), 35-44. https://doi.org/10.1039/c5sm02144h
Curk, Tine, et al. "Rational design of molecularly imprinted polymers." Soft matter vol. 12,1 (2016): 35-44. doi: https://doi.org/10.1039/c5sm02144h
Curk T, Dobnikar J, Frenkel D. Rational design of molecularly imprinted polymers. Soft Matter. 2016 Jan 07;12(1):35-44. doi: 10.1039/c5sm02144h. PMID: 26452006.
Copy Download .nbib Format: NLM
Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions.

The Journal of chemical physics

Schrenk KJ, Frenkel D.
PMID: 26723582
J Chem Phys. 2015 Dec 28;143(24):241103. doi: 10.1063/1.4938999.

We present simulations of an equilibrium statistical-mechanics model that uniformly samples the space of quiescent states of a periodically sheared suspension. In our simulations, we compute the structural properties of this model as a function of density. We compare...

Cite
Schrenk KJ, Frenkel D. Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions. J Chem Phys. 2015;143(24):241103doi: 10.1063/1.4938999.
Schrenk, K. J., & Frenkel, D. (2015). Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions. The Journal of chemical physics, 143(24), 241103. https://doi.org/10.1063/1.4938999
Schrenk, K Julian, and Frenkel, Daan. "Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions." The Journal of chemical physics vol. 143,24 (2015): 241103. doi: https://doi.org/10.1063/1.4938999
Schrenk KJ, Frenkel D. Communication: Evidence for non-ergodicity in quiescent states of periodically sheared suspensions. J Chem Phys. 2015 Dec 28;143(24):241103. doi: 10.1063/1.4938999. PMID: 26723582.
Copy Download .nbib Format: NLM
Interband and intraband (Drude) contributions to femtosecond laser absorption in aluminum.

Physical review. E, Statistical, nonlinear, and soft matter physics

Fisher D, Fraenkel M, Henis Z, Moshe E, Eliezer S.
PMID: 11800792
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Jan;65(1):016409. doi: 10.1103/PhysRevE.65.016409. Epub 2001 Dec 17.

Theoretical and experimental investigations of the absorption in metallic aluminum of femtosecond-laser radiation pulses with peak intensity I0 less similar 10(15) W/cm(2) are reported. Energy balance equations are solved for electron and phonon subsystems, together with Helmholtz equation for...

Cite
Fisher D, Fraenkel M, Henis Z, et al. Interband and intraband (Drude) contributions to femtosecond laser absorption in aluminum. Phys Rev E Stat Nonlin Soft Matter Phys. 2001;65(1):016409doi: 10.1103/PhysRevE.65.016409.
Fisher, D., Fraenkel, M., Henis, Z., Moshe, E., & Eliezer, S. (2002). Interband and intraband (Drude) contributions to femtosecond laser absorption in aluminum. Physical review. E, Statistical, nonlinear, and soft matter physics, 65(1), 016409. https://doi.org/10.1103/PhysRevE.65.016409
Fisher, D, et al. "Interband and intraband (Drude) contributions to femtosecond laser absorption in aluminum." Physical review. E, Statistical, nonlinear, and soft matter physics vol. 65,1 (2002): 016409. doi: https://doi.org/10.1103/PhysRevE.65.016409
Fisher D, Fraenkel M, Henis Z, Moshe E, Eliezer S. Interband and intraband (Drude) contributions to femtosecond laser absorption in aluminum. Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Jan;65(1):016409. doi: 10.1103/PhysRevE.65.016409. Epub 2001 Dec 17. PMID: 11800792.
Copy Download .nbib Format: NLM
Showing 1 to 12 of 564 entries