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Ganesh, V., Kavathekar, Ritwik, Rahalkar, Anuja, Gadre, Shridhar R. (2008) WebProp: Web interface forab initio calculation of molecular one-electron properties. Journal of Computational Chemistry, 29 (3). 488-495 doi:10.1002/jcc.20802

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Reference TypeJournal (article/letter/editorial)
TitleWebProp: Web interface forab initio calculation of molecular one-electron properties
JournalJournal of Computational Chemistry
AuthorsGanesh, V.Author
Kavathekar, RitwikAuthor
Rahalkar, AnujaAuthor
Gadre, Shridhar R.Author
Year2008 (February)Volume29
Issue3
PublisherWiley
DOIdoi:10.1002/jcc.20802Search in ResearchGate
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Mindat Ref. ID3149214Long-form Identifiermindat:1:5:3149214:8
GUID0
Full ReferenceGanesh, V., Kavathekar, Ritwik, Rahalkar, Anuja, Gadre, Shridhar R. (2008) WebProp: Web interface forab initio calculation of molecular one-electron properties. Journal of Computational Chemistry, 29 (3). 488-495 doi:10.1002/jcc.20802
Plain TextGanesh, V., Kavathekar, Ritwik, Rahalkar, Anuja, Gadre, Shridhar R. (2008) WebProp: Web interface forab initio calculation of molecular one-electron properties. Journal of Computational Chemistry, 29 (3). 488-495 doi:10.1002/jcc.20802
In(2008, February) Journal of Computational Chemistry Vol. 29 (3) Wiley

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Kavathekar, Ritwik, Khire, Subodh, Ganesh, V., Rahalkar, Anuja P., Gadre, Shridhar R. (2009) WebMTA: A web-interface forab initiogeometry optimization of large molecules using molecular tailoring approach. Journal of Computational Chemistry, 30 (7). 1167-1173 doi:10.1002/jcc.21132
Rahalkar, Anuja P., Ganesh, V., Gadre, Shridhar R. (2008) Enabling ab initio Hessian and frequency calculations of large molecules. The Journal of Chemical Physics, 129 (23). 234101pp. doi:10.1063/1.2978387
Babu, K., Gadre, Shridhar R. (2003) Ab initio quality one-electron properties of large molecules: Development and testing of molecular tailoring approach. Journal of Computational Chemistry, 24 (4). 484-495 doi:10.1002/jcc.10206
Mahadevi, A. Subha, Rahalkar, Anuja P., Gadre, Shridhar R., Sastry, G. Narahari (2010) Ab initio investigation of benzene clusters: Molecular tailoring approach. The Journal of Chemical Physics, 133 (16). 164308pp. doi:10.1063/1.3494536
Elango, M., Subramanian, V., Rahalkar, Anuja P., Gadre, Shridhar R., Sathyamurthy, N. (2008) Structure, Energetics, and Reactivity of Boric Acid Nanotubes: A Molecular Tailoring Approach. The Journal of Physical Chemistry A, 112 (33). 7699-7704 doi:10.1021/jp802723e
GADRE, SHRIDHAR R., GANESH, V. (2006) MOLECULAR TAILORING APPROACH: TOWARDS PC-BASED AB INITIO TREATMENT OF LARGE MOLECULES. Journal of Theoretical and Computational Chemistry, 5. 835-855 doi:10.1142/s021963360600260x
Gadre, Shridhar R. (2003) Foreword. Journal of Computational Chemistry, 24 (4). doi:10.1002/jcc.1176
Balanarayan, P., Kavathekar, Ritwik, Gadre, Shridhar R. (2007) Electrostatic Potential Topography for Exploring Electronic Reorganizations in 1,3 Dipolar Cycloadditions. The Journal of Physical Chemistry A, 111 (14). 2733-2738 doi:10.1021/jp067247o
Furtado, Jonathan P., Rahalkar, Anuja P., Shanker, Sudhanshu, Bandyopadhyay, Pradipta, Gadre, Shridhar R. (2012) Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring. The Journal of Physical Chemistry Letters, 3 (16). 2253-2258 doi:10.1021/jz300663u
Gadre, Shridhar R., Suresh, C. H. (2018) Preface. Journal of Computational Chemistry, 39 (9). 457 doi:10.1002/jcc.25160
Bijina, Padinjare Veetil, Suresh, Cherumuttathu H., Gadre, Shridhar R. (2018) Electrostatics for probing lone pairs and their interactions. Journal of Computational Chemistry, 39 (9). 488-499 doi:10.1002/jcc.25082
 
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