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Thomas, Angela Mary and Subramanian, Yashonath (2019) Bridging the gap between diffusivities from experiment and molecular dynamics: n-hexane and 2,2-dimethyl butane in zeolite BEA. In: MICROPOROUS AND MESOPOROUS MATERIALS, 287 . pp. 124-134.
Thomas, Angela Mary and Subramanian, Yashonath (2019) Simulations on ``Powder'' Samples for Better Agreement with Macroscopic Measurements. In: JOURNAL OF PHYSICAL CHEMISTRY C, 123 (26). pp. 16172-16178.
Thomas, Angela Mary and Subramanian, Yashonath (2018) Diffusion processes in a poly-crystalline zeolitic material: A molecular dynamics study. In: JOURNAL OF CHEMICAL PHYSICS, 149 (6).
Varanasi, Srinivasa Rao and Subramanian, Yashonath and Bhatia, Suresh K (2018) High Interfacial Barriers at Narrow Carbon Nanotube-Water Interfaces. In: LANGMUIR, 34 (27). pp. 8099-8111.
Moitra, Parikshit and Subramanian, Yashonath and Bhattacharya, Santanu (2017) Concentration Dependent Self-Assembly of TrK-NGF Receptor Derived Tripeptide: New Insights from Experiment and Computer Simulations. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (4). pp. 815-824.
Thomas, Angela Mary and Subramanian, Yashonath (2017) Hexane Isomers in Faujasite: Anomalous Diffusion and Kinetic Separation. In: JOURNAL OF PHYSICAL CHEMISTRY C, 121 (27). pp. 14745-14756.
Manogaran, Dhivya and Subramanian, Yashonath (2017) Understanding Translational-Rotational Coupling in Liquid Water through Changes in Mass Distribution. In: JOURNAL OF PHYSICAL CHEMISTRY B, 121 (50). pp. 11344-11355.
Perumal, Sathya S R R and Subramanian, Yashonath (2017) A molecular dynamics calculation of solid phase of malonic acid: role of hydrogen-bond chains and the elastic constants. In: JOURNAL OF CHEMICAL SCIENCES, 129 (7, SI). pp. 963-974.
Rajappa, Chitra and Sringeri, Bhuvaneshwari S and Subramanian, Yashonath and Gopalakrishnan, J (2014) A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume. In: JOURNAL OF CHEMICAL PHYSICS, 140 (24).
Varanasi, Srinivasa R and Kumar, Parveen and Subramanian, Yashonath (2012) Effect of pressure on the ionic conductivity of Li+ and Cl- ions in water. In: JOURNAL OF CHEMICAL PHYSICS, 137 (14).
Rajappa, Chitra and Bandyopadhyay, Sanjoy and Subramanian, Yashonath (1997) Monte Carlo and molecular dynamics simulation of argon clusters andn-alkanes in the confined regions of zeolites. In: Bulletin of Materials Science, 20 (6). pp. 845-878.
Prakriteswar, Santikary and Subramanian, Yashonath (1992) Molecular dynamics investigation of sorption of argon in NaCaA zeolite. In: Faraday Transactions, 88 (4). pp. 1063-1066.
Thomas, Angela Mary and Subramanian, Yashonath (2017) Hexane isomers in zeolite Y: Anomalous diffusion and kinetic separation. In: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 254 .
