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Hydrogen bond / Supramolecular chemistry / Water dimer / Properties of water / Resonance / Chemistry / Chemical bonding / Cluster chemistry


J. Phys. Chem. A 2001, 105, [removed]10525 Structure and Stability of Water Clusters (H2O)n, n[removed]: An Ab Initio Investigation Shruti Maheshwary, Nitin Patel, and Narayanasami Sathyamurthy*
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Document Date: 2005-08-08 10:24:08


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MNDO / Bangalore / /

Company

DFT/B3LYP HF / 31G(dp) HF / 8D / nH HF / /

Country

India / /

Currency

pence / USD / /

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Facility

UniVersity of Pune / Indian Institute of Technology / /

IndustryTerm

shallow potential-energy surface / potential-energy hypersurface / energy minimum / minimum-energy structures / low-energy conformers / metal ion / stabilization energy / possible low-energy structures / energy calculation / higher energy / low-energy structures / lowest-energy form / vibrational energy / potential-energy surface / mean hydrogen-bond energy / zero-point energy correction / incremental stabilization energy / extended hydrogen-bonding network / energy / /

Organization

pentagon / Indian Institute of Technology / Kanpur / Narayanasami Sathyamurthy* Department of Chemistry / India Anant D. Kulkarni and Shridhar R. Gadreā€  Department of Chemistry / UniVersity of Pune / Honorary Professor Jawaharlal Nehru Centre for Advanced Scientific Research / /

Person

Nitin Patel / Narayanasami Sathyamurthy / Shruti Maheshwary / /

Position

Author / Hb / rO-Hb / jrO-Hb / chair / /

Technology

spectroscopy / /

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