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1

Bridging electrostatic properties between nanoscopic and microscopic highly charged droplets

Kwan, Victor, Consta, Styliani

Journal:

Chemical Physics Letters

Year:

2020

File:

PDF, 1.53 MB

2020

2

[WORLD SCIENTIFIC Proceedings of the International School of Physics - LERICI, Villa Marigola (7 – 18 July 1997)] Classical and Quantum Dynamics in Condensed Phase Simulations - Chemical rate laws and rate constants

KAPRAL, RAYMOND, CONSTA, STYLIANI, MCWHIRTER, LIAM

Language:

english

File:

PDF, 2.05 MB

english

3

Effect of counterions on the charging mechanisms of a macromolecule in aqueous nanodrops

Sharawy, Mahmoud, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.48 MB

english, 2014

4

Proton transfer in mesoscopic, molecular clusters

Consta, Styliani, Kapral, Raymond

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 814 KB

english, 1994

5

Conformational Changes of trans -1,2-Dichlorocyclohexane Adsorbed in Zeolites Studied by FT-Raman Spectroscopy and Molecular QM/MM Simulations

Buin, Andrei, Ma, Jianrong, Huang, Yining, Consta, Styliani, Hui, Zhang

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.93 MB

english, 2012

6

New mechanisms of macroion-induced disintegration of charged droplets

Consta, Styliani, Oh, Myong In, Malevanets, Anatoly

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 2.28 MB

english, 2016

7

Fragmentation reactions of charged aqueous clusters

Styliani Consta

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 639 KB

english, 2002

8

Variation of droplet acidity during evaporation

Malevanets, Anatoly, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.12 MB

english, 2013

9

Erratum: “Effect of the chemical environment of the DNA guanine quadruplex on the free energy of binding of Na and K ions” [J. Chem. Phys. 149, 225102 (2018)]

Sharawy, Mahmoud, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 464 KB

english, 2019

10

Molecular Characterization of the Surface Excess Charge Layer in Droplets

Kwan, Victor, Consta, Styliani

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2020

File:

PDF, 3.49 MB

2020

11

Manifestation of Rayleigh Instability in Droplets Containing Multiply Charged Macroions

Consta, Styliani

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 2.12 MB

english, 2010

12

Charging and Release Mechanisms of Flexible Macromolecules in Droplets

Oh, Myong In, Consta, Styliani

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2017

Language:

english

File:

PDF, 3.00 MB

english, 2017

13

When droplets become stars: charged dielectric droplets beyond the Rayleigh limit

Oh, Myong In, Malevanets, Anatoly, Paliy, Maxim, Frenkel, Daan, Consta, Styliani

Journal:

Year:

2017

Language:

english

File:

PDF, 4.31 MB

english, 2017

14

Classification of the ejection mechanisms of charged macromolecules from liquid droplets

Consta, Styliani, Malevanets, Anatoly

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 963 KB

english, 2013

15

Stability of a Transient Protein Complex in a Charged Aqueous Droplet with Variable pH

Oh, Myong In, Consta, Styliani

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.56 MB

english, 2017

16

Advances in the theoretical and molecular simulation studies of the ion chemistry in droplets

Consta, Styliani, Oh, Myong In, Soltani, Sepideh

Journal:

International Journal of Mass Spectrometry

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

17

Landau–Ginzburg theory for ‘star’-shaped droplets

Malevanets, Anatoly, Oh, Myong In, Sharawy, Mahmoud, Consta, Styliani

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 2.27 MB

english, 2018

18

Disintegration mechanisms of charged nanodroplets: novel systems for applying methods of activated processes

Consta, Styliani, Malevanets, Anatoly

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 1.06 MB

english, 2015

19

Nanoimmiscibility: Selective Absorption of Liquid Methanol–Water Mixtures in Carbon Nanotubes

Liu, Yi, Consta, Styliani, Goddard, William A.

Journal:

Journal of Nanoscience and Nanotechnology

Year:

2010

Language:

english

File:

PDF, 6.27 MB

english, 2010

20

What Factors Determine the Stability of a Weak Protein-Protein Interaction in a Charged Aqueous Droplet?

Oh, Myong In, Consta, Styliani

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.06 MB

english, 2017

21

Prediction of the Size Distributions of Methanol−Ethanol Clusters Detected in VUV Laser/Time-of-Flight Mass Spectrometry

Liu, Yi, Consta, Styliani, Shi, Yujun, Lipson, R. H., Goddard, William A.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 3.99 MB

english, 2009

22

A study of conformational equilibrium of 1,1,2-trichloroethane in FAU-type zeolites

Buin, Andrei, Wang, Haiyan, Consta, Styliani, Huang, Yining

Journal:

Microporous and Mesoporous Materials

Year:

2014

Language:

english

File:

PDF, 2.03 MB

english, 2014

23

Charge-Induced Conformational Changes of PEG-(Na + ) n in a Vacuum and Aqueous Nanodroplets

Consta, Styliani, Chung, Jun Kyung

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.91 MB

english, 2011

24

Fragmentation mechanisms of aqueous clusters charged with ions

Consta, Styliani, Mainer, Kirkland R., Novak, William

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 622 KB

english, 2003

25

Dynamic Breaking and Restoring of Finite Water Chains inside Carbon Nanotubes

Consta, Styliani, Liu, Yi

Journal:

Computing Letters

Year:

2005

Language:

english

File:

PDF, 224 KB

english, 2005

26

Where Do the Ions Reside in a Highly Charged Droplet?

Kwan, Victor, Malevanets, Anatoly, Consta, Styliani

Journal:

Journal of Physical Chemistry A

Year:

2019

Language:

english

File:

PDF, 2.93 MB

english, 2019

27

Role of a reaction coordinate in free energy calculations

Consta, Styliani, Malevanets, Anatoly, Oh, Myong In, Sharawy, Mahmoud

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 2.09 MB

english, 2018

28

Effect of the chemical environment of the DNA guanine quadruplex on the free energy of binding of Na and K ions

Sharawy, Mahmoud, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.00 MB

english, 2018

29

Manifestations of Charge Induced Instability in Droplets Effected by Charged Macromolecules

Consta, Styliani, Malevanets, Anatoly

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 801 KB

english, 2012

30

1996 Polanyi Award Lecture Proton reactions in clusters

Kapral, Raymond, Consta, Styliani, Laria, Daniel

Journal:

Canadian Journal of Chemistry

Year:

1997

File:

PDF, 168 KB

1997

31

Macroion–Solvent Interactions in Charged Droplets

Consta, Styliani, Oh, Myong In, Sharawy, Mahmoud, Malevanets, Anatoly

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 3.82 MB

english, 2018

32

Detecting Reaction Pathways and Computing Reaction Rates in Condensed Phase

Styliani Consta

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2006

Language:

english

File:

PDF, 284 KB

english, 2006

33

Ionization reactions of ion complexes in mesoscopic water clusters

Consta, Styliani, Kapral, Raymond

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 616 KB

english, 1999

34

Mechanisms of Phase Transformations of TiO 2 Nanotubes and Nanorods

Buin, Andrei, Consta, Styliani, Sham, Tsun-Kong

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 4.87 MB

english, 2011

35

Release Mechanisms of Poly(ethylene glycol) Macroions from Aqueous Charged Nanodroplets

Chung, Jun Kyung, Consta, Styliani

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 3.68 MB

english, 2012

36

Disintegration Mechanisms of Charged Aqueous Nanodroplets Studied by Simulations and Analytical Models

Ichiki, Kengo, Consta, Styliani

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 368 KB

english, 2006

37

How do non-covalent complexes dissociate in droplets? A case study of the desolvation of dsDNA from a charged aqueous nanodrop

Sharawy, Mahmoud, Consta, Styliani

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.79 MB

english, 2015

38

Characterization of “Star” Droplet Morphologies Induced by Charged Macromolecules

Sharawy, Mahmoud, Consta, Styliani

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 4.36 MB

english, 2016

39

Effect of solvent on the charging mechanisms of poly(ethylene glycol) in droplets

Soltani, Sepideh, Oh, Myong In, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 3.86 MB

english, 2015

40

Strengths and Weaknesses of Molecular Simulations of Electrosprayed Droplets

Consta, Styliani, In Oh, Myong, Kwan, Victor, Malevanets, Anatoly

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2018

Language:

english

File:

PDF, 991 KB

english, 2018

41

Dynamics of proton transfer in mesoscopic clusters

Consta, Styliani, Kapral, Raymond

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 744 KB

english, 1996

42

Charge-induced instabilities of droplets containing macromolecular complexes

Sheriff, Falana Aziza, Consta, Styliani

Journal:

Canadian Journal of Chemistry

Year:

2015

File:

PDF, 2.74 MB

2015

43

“Star” morphologies of charged nanodrops comprised of conformational isomers

In Oh, Myong, Paliy, Maxim, Consta, Styliani

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 29.23 MB

english, 2018

44

Recoil growth algorithm for chain molecules with continuous interactions

CONSTA, STYLIANI, VLUGT, THIJS J. H., HOETH, JOCHEM WICHERS, SMIT, BEREND, FRENKEL, DAAN

Journal:

Molecular Physics

Year:

1999

Language:

english

File:

PDF, 1.01 MB

english, 1999

45

Advances in Modeling the Stability of Noncovalent Complexes in Charged Droplets with Applications in Electrospray Ionization-MS Experiments

Consta, Styliani, Sharawy, Mahmoud, Oh, Myong In, Malevanets, Anatoly

Journal:

Analytical Chemistry

Year:

2017

Language:

english

File:

PDF, 6.13 MB

english, 2017

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