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Number of items: 13.

Perumalla, DS and Ghorai, S and Pal, T and Hnyk, D and Holub, J and Jemmis, ED (2022) Rearrangement of dicarboranyl methyl cation to icosahedral C3B9H12+: An ab initio dynamics view. In: Journal of Computational Chemistry .

Nag, S and Subramanian, Y (2022) Separation of hydrocarbon mixture of neopentane and n-hexane using NaY zeolite: Large distinct diffusivity. In: Journal of Computational Chemistry .

Manogaran, D (2018) Making and breaking of small water clusters: A combined quantum chemical and molecular dynamics approach. In: Journal of Computational Chemistry .

Maingi, Vishal and Jain, Vaibhav and Bharatam, Prasad V and Maiti, Prabal K (2012) Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. In: Journal of Computational Chemistry, 33 (25). pp. 1997-2011.

Koley, D and Arunan, E and Ramakrishnan, S (2012) Computational investigations on covalent dimerization/oligomerization of polyacenes: Is it relevant to soot formation? In: Journal of Computational Chemistry, 33 (21). pp. 1762-1772.

Maingi, Vishal and Jain, Vaibhav and Bharatam, Prasad V and Maiti, Prabal K (2012) Dendrimer building toolkit: Model building and characterization of various dendrimer architectures. In: Journal of Computational Chemistry, 33 (25). pp. 1997-2011.

Mitra, Pralay and Pal, Debnath (2011) Using Correlated Parameters for Improved Ranking of Protein-Protein Docking Decoys. In: Journal of Computational Chemistry, 32 (5). pp. 787-796.

Rani, Dandamudi Usha and Prasad, Dasari LVK and Nixon, John F and Jemmis, Eluvathingal D (2007) Electronic structure and bonding studies on triple-decker sandwich complexes with a $P_6$ middle ring. In: Journal of Computational Chemistry, 28 (1). pp. 310-319.

Sunoj, RB and Lakshminarasimhan, P and Ramamurthy, V and Chandrasekhar, J (2001) Configuration Interaction and Density Functional Study of the Influence of Lithium Cation Complexation on Vertical and Adiabatic Excitation Energies of Enones. In: Journal of Computational Chemistry, 22 (13). pp. 1598-1604.

Chandrasekhar, Jayaraman and Saunders, Martin and Jorgensen, William L (2001) Efficient Exploration of Conformational Space Using the Stochastic Search Method: Application to \beta -Peptide Oligomers. In: Journal of Computational Chemistry, 22 (14). pp. 1646-1654.

Ramasesha, S (1990) A new algorithm for solving large inhomogeneous linear system of algebraic equations. In: Journal of Computational Chemistry, 11 (5). pp. 545-547.

Bhanuprakash, K and Kulkarni, GV and Chandra, Asish K (1986) On calculations of intermolecular potentials. In: Journal of Computational Chemistry, 7 (6). pp. 731-738.

Namboodiri, Krishnan KP and Viswanathan, S and Ganesan, R and Bhasu, Jyothi VC (1981) The electronic structure, spectra, and reactivity of nitrophenols. In: Journal of Computational Chemistry, 2 (4). pp. 392-401.

This list was generated on Wed Apr 24 15:59:08 2024 IST.