Directory at CAVS
Selected PublicationsTotal Publications: 30
Goel, H., Ling, S., Ellis, B. N., Taconi, A., Slater, B., & Rai, N. (2018). Predicting Vapor Liquid Equilibria Using Density Functional Theory: A Case Study of Argon. J. Chemical Physics. 148, 224501.
Baumann, A., Cheema, H., Sabuj, M. A., McNamara, L. E., Zhang, Y., Peddaouram, A., Nguyen, S. T., Watkins, D. L., Hammer, N. I., Rai, N., & Delcamp, J. H. (2018). Iodine Binding with Thiophene and Furan Based Dyes for DSCs. Physical Chemistry Chemical Physics. 20, 17859-17870.
Newcomb, K., Tiwari, S. P., Rai, N., & Maginn, E. J. (2018). A Molecular Dynamics Investigation of Actinyl-ligand Speciation in Aqueous Solution. Physical Chemistry Chemical Physics. 20, 15753-15763.
Goel, H., & Rai, N. (2018). Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants. ACS Omega. 3, 3646-3654.
Goel, H., Windom, Z. W., Jackson, A., & Rai, N. (2018). Performance of Density Functionals for Modeling Vapor Liquid Equilibria of CO2 and SO2. J. Computational Chemistry. 39, 397-406.
Baumann, A., Cheema, H., Sabuj, M. A., McNamara, L. E., Zhang, Y., Peddaouram, A., Nguyen, S. T., Watkins, D. L., Hammer, N. I., Rai, N., & Delcamp, J. H. (2018). Iodine Binding with Thiophene and Furan Based Dyes for DSCs. Physical Chemistry Chemical Physics. 20, 17859-17870.
Newcomb, K., Tiwari, S. P., Rai, N., & Maginn, E. J. (2018). A Molecular Dynamics Investigation of Actinyl-ligand Speciation in Aqueous Solution. Physical Chemistry Chemical Physics. 20, 15753-15763.
Goel, H., & Rai, N. (2018). Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants. ACS Omega. 3, 3646-3654.
Goel, H., Windom, Z. W., Jackson, A., & Rai, N. (2018). Performance of Density Functionals for Modeling Vapor Liquid Equilibria of CO2 and SO2. J. Computational Chemistry. 39, 397-406.