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Research - Publications by Area:

 

Computational Chemistry

 

2019

1. Analytical modeling of micelle growth. 1. Chain-conformation free energy of binary mixed spherical, wormlike and lamellar micelles. K.D. Danov, P.A. Kralchevsky, S.D. Stoyanov, J.L Cook, I.P. Stott. J. Colloid Interface Sci. 547 (2019) 245–255; doi: 10.1016/j.jcis.2019.03.105

2. Analytical modeling of micelle growth. 2. Molecular thermodynamics of mixed aggregates and scission energy in wormlike micelles. K.D. Danov, P.A. Kralchevsky, S.D. Stoyanov, J.L Cook, I.P. Stott, J. Colloid Interface Sci. 551 (2019) 227–241; doi: 10.1016/j.jcis.2019.05.017

3. Shape-Shifting Polyhedral Droplets. P. A. Haas, D. Cholakova, N. Denkov, R. E. Goldstein, S. K. Smoukov, Phys. Rev. Research 1 (2019); doi: 10.1103/PhysRevResearch.1.023017

4. Structure of Dense Adsorption Layers of Escin at the Air−Water Interface Studied by Molecular Dynamics Simulations. S. Tsibranska, A. Ivanova, S. Tcholakova, N. Denkov, Langmuir 35 (2019); doi: 10.1021/acs.langmuir.9b02260

5. Surface Phase Transitions in Foams and Emulsions. N. Denkov, S. Tcholakova, D. Cholakova, Curr. Opin. Colloid Interface Sci. 44 (2019) 32–42; doi: 10.1016/j.cocis.2019.09.005

 

2017

1. Self-Assembly of Escin Molecules at the Air−Water Interface as Studied by Molecular Dynamics. S. Tsibranska, A. Ivanova, S. Tcholakova, N. Denkov. Langmuir 33 (2017) 8330−8341; doi: 10.1021/acs.langmuir.7b01719

 

2015

1. Unit Cell Structure of Water‑filled Monoolein in Inverted Hexagonal Mesophase in the Presence of Incorporated Tricaprylin and Entrapped Lysozyme. V. Kolev, A. Ivanova, G. Madjarova, A. Aserin, N. Garti. Eur. Biophys. J. DOI 10.1007/s00249-015-1080-3.

2. Molecular Dynamics Simulation of the Aggregation Patterns in Aqueous Solutions of Bile Salts at Physiological Conditions. F. Mustan, A. Ivanova, G. Madjarova, S. Tcholakova, N. Denkov, J. Phys. Chem. B 119 (2015) 15631–15643.

 

2014

1. Unit Cell Structure of Water-filled Monoolein into Inverted Hexagonal (HII) Mesophase Modeled by Molecular Dynamics. V. Kolev, A. Ivanova, G. Madjarova, A. Aserin, N. Garti. J. Phys. Chem. B 118 (2014) 5459−5470.

 

2012

1. Molecular Dynamics Approach to Water Structure of HII Mesophase of Monoolein. V. Kolev, A. Ivanova, G. Madjarova, A. Aserin, N. Garti, J. Chem. Phys. 136 (2012) 074509.