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1

Theoretical and experimental investigations on the structure and vibrational spectra of 2-hydroxy-3-methyl-1,4-naphthoquinone-1-oxime

Dilip R. Thube, Ashwini V. Todkary, Kaustubh A. Joshi, Sandhya Y. Rane, Shridhar P. Gejji, Sunita A. Salunke, Jérôme Marrot, François Varret

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 294 KB

english, 2003

2

Ab initio and density functional studies on the structure and vibrational spectra of 2-hydroxy-1,4-naphthoquinone-1-oxime derivatives

Kaustubh A. Joshi, Dilip R. Thube, Sandhya Y. Rane, Shridhar P. Gejji

Journal:

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

Year:

2003

Language:

english

File:

PDF, 863 KB

english, 2003

3

Monte Carlo Simulation Methods for Computing Liquid–Vapor Saturation Properties of Model Systems

Rane, Kaustubh S., Murali, Sabharish, Errington, Jeffrey R.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

4

Using Monte Carlo Simulation to Compute Liquid–Vapor Saturation Properties of Ionic Liquids

Rane, Kaustubh S., Errington, Jeffrey R.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 1.51 MB

english, 2013

5

Evaluation of the Performance of GAFF and CGenFF in the Prediction of Liquid–Vapor Saturation Properties of Naphthalene Derivatives

Kumar, Vaibhaw, Rane, Kaustubh S., Wierzchowski, Scott, Shaik, Majeed, Errington, Jeffrey R.

Journal:

Industrial & Engineering Chemistry Research

Year:

2014

Language:

english

File:

PDF, 2.75 MB

english, 2014

6

Saturation Properties of 1-Alkyl-3-methylimidazolium Based Ionic Liquids

Rane, Kaustubh S., Errington, Jeffrey R.

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 574 KB

english, 2014

7

Liquid–Vapor Phase Behavior of Asphaltene-like Molecules

Rane, Kaustubh S., Kumar, Vaibhaw, Wierzchowski, Scott, Shaik, Majeed, Errington, Jeffrey R.

Journal:

Industrial & Engineering Chemistry Research

Year:

2014

Language:

english

File:

PDF, 2.42 MB

english, 2014

8

Understanding the influence of Coulomb and dispersion interactions on the wetting behavior of ionic liquids

Rane, Kaustubh S., Errington, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 792 KB

english, 2014

9

Monte Carlo simulation methods for computing the wetting and drying properties of model systems

Rane, Kaustubh S., Kumar, Vaibhaw, Errington, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.06 MB

english, 2011

10

Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface

Rane, Kaustubh, van der Vegt, Nico F. A.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 510 KB

english, 2016

11

Understanding the influence of capillary waves on solvation at the liquid-vapor interface

Rane, Kaustubh, van der Vegt, Nico F. A.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 517 KB

english, 2016

12

Physical Chemistry of Gas-Liquid Interfaces || Fluctuations and Adsorption at Liquid–Vapor Interfaces

Year:

2018

Language:

english

File:

PDF, 1.25 MB

english, 2018

13

Transverse correlations near solid-liquid interface: Influence of the crystal structure of solid

Chouksey, Shubham, Rane, Kaustubh

Journal:

Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.31 MB

english, 2018

14

Using isothermal-isobaric Monte Carlo simulation to study the wetting behavior of model systems

Jain, Karnesh, Rane, Kaustubh S., Errington, Jeffrey R.

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.73 MB

english, 2019

15

Spontaneous translation of nanodroplet over a heterogeneous surface due to thermal cycles: role of solid–liquid interfacial fluctuations

Saxena, Utkarsh, Chouksey, Shubham, Rane, Kaustubh

Journal:

Molecular Physics

Year:

2019

Language:

english

File:

PDF, 3.30 MB

english, 2019

16

Can liquid density-fluctuations near solid surface drive the motion of nanoscale droplets?

Rane, Kaustubh S

Journal:

Chemical Physics Letters

Year:

2020

File:

PDF, 1.41 MB

2020

17

Characterization of the Interfacial Material in Asphaltenes Responsible for Oil/Water Emulsion Stability

Rahham, Youssra, Rane, Kaustubh, Goual, Lamia

Journal:

Year:

2020

File:

PDF, 7.33 MB

2020

18

Graphene Quantum Dots for the Mobilization and Solubilization of Nonaqueous Phase Liquids in Natural Porous Media

Rane, Kaustubh S., Goual, Lamia, Zhang, Bingjun

Journal:

ACS Applied Nano Materials

Year:

2020

File:

PDF, 10.37 MB

2020

19

Coal-derived nanomaterials for enhanced NAPL flow in porous media

Zhang, Bingjun, Rane, Kaustubh, Goual, Lamia

Journal:

Year:

2020

File:

PDF, 1.25 MB

2020