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	1.	In silico studies toward the recognition of fluoride ion by substituted borazines. [electronic resource] by Kesharwani, Manoj K Ganguly, Bishwajit Producer: 20130430 In: Journal of molecular graphics & modelling vol. 38 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Probing the structural and electronic effects to stabilize nonplanar forms of thioamide derivatives: a computational study. [electronic resource] by Kesharwani, Manoj K Ganguly, Bishwajit Producer: 20150624 In: Journal of computational chemistry vol. 32 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Probing the influence of anomeric effects on the lithium ion affinity in 1,3-diaza systems: a computational study. [electronic resource] by Kesharwani, Manoj K Thiel, Walter Ganguly, Bishwajit Producer: 20110121 In: The journal of physical chemistry. A vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Assessment of CCSD(T)-F12 Approximations and Basis Sets for Harmonic Vibrational Frequencies. [electronic resource] by Martin, Jan M L Kesharwani, Manoj K Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	The aug-cc-pVnZ-F12 basis set family: Correlation consistent basis sets for explicitly correlated benchmark calculations on anions and noncovalent complexes. [electronic resource] by Sylvetsky, Nitai Kesharwani, Manoj K Martin, Jan M L Producer: 20180611 In: The Journal of chemical physics vol. 147 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Differential binding of bispyridinium oxime drugs with acetylcholinesterase. [electronic resource] by Kesharwani, Manoj K Ganguly, Bishwajit Das, Amit Bandyopadhyay, Tusar Producer: 20100614 In: Acta pharmacologica Sinica vol. 31 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Some Observations on Counterpoise Corrections for Explicitly Correlated Calculations on Noncovalent Interactions. [electronic resource] by Brauer, Brina Kesharwani, Manoj K Martin, Jan M L Producer: 20151222 In: Journal of chemical theory and computation vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Rational design of a new class of polycyclic organic bases bearing two superbasic sites and their applications in the CO2 capture and activation process. [electronic resource] by Lo, Rabindranath Singh, Ajeet Kesharwani, Manoj K Ganguly, Bishwajit Producer: 20120918 In: Chemical communications (Cambridge, England) vol. 48 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Frequency and zero-point vibrational energy scale factors for double-hybrid density functionals (and other selected methods): can anharmonic force fields be avoided? [electronic resource] by Kesharwani, Manoj K Brauer, Brina Martin, Jan M L Producer: 20150521 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Benchmark ab Initio Conformational Energies for the Proteinogenic Amino Acids through Explicitly Correlated Methods. Assessment of Density Functional Methods. [electronic resource] by Kesharwani, Manoj K Karton, Amir Martin, Jan M L Producer: 20161012 In: Journal of chemical theory and computation vol. 12 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Comment on "Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0" [J. Chem. Phys. 136, 174103 (2012)]. [electronic resource] by Kesharwani, Manoj K Kozuch, Sebastian Martin, Jan M L Producer: 20160331 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Solvolysis of chemical warfare agent VX is more efficient with hydroxylamine anion: a computational study. [electronic resource] by Khan, Md Abdul Shafeeuulla Kesharwani, Manoj K Bandyopadhyay, Tusar Ganguly, Bishwajit Producer: 20091214 In: Journal of molecular graphics & modelling vol. 28 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	The S66x8 benchmark for noncovalent interactions revisited: explicitly correlated ab initio methods and density functional theory. [electronic resource] by Brauer, Brina Kesharwani, Manoj K Kozuch, Sebastian Martin, Jan M L Producer: 20180130 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets. [electronic resource] by Manna, Debashree Kesharwani, Manoj K Sylvetsky, Nitai Martin, Jan M L Producer: 20180312 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	The X40×10 Halogen Bonding Benchmark Revisited: Surprising Importance of (n-1)d Subvalence Correlation. [electronic resource] by Kesharwani, Manoj K Manna, Debashree Sylvetsky, Nitai Martin, Jan M L Producer: 20180305 In: The journal of physical chemistry. A vol. 122 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	In silico studies in probing the role of kinetic and structural effects of different drugs for the reactivation of tabun-inhibited AChE. [electronic resource] by Lo, Rabindranath Chandar, Nellore Bhanu Kesharwani, Manoj K Jain, Aastha Ganguly, Bishwajit Producer: 20140818 In: PloS one vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Hydrogen bonding interaction between active methylene hydrogen atoms and an anion as a binding motif for anion recognition: experimental studies and theoretical rationalization. [electronic resource] by Agarwalla, Hridesh Jana, Kalyanashis Maity, Arunava Kesharwani, Manoj K Ganguly, Bishwajit Das, Amitava Producer: 20141004 In: The journal of physical chemistry. A vol. 118 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Do CCSD and approximate CCSD-F12 variants converge to the same basis set limits? The case of atomization energies. [electronic resource] by Kesharwani, Manoj K Sylvetsky, Nitai Köhn, Andreas Tew, David P Martin, Jan M L Producer: 20181023 In: The Journal of chemical physics vol. 149 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	An alternative approach: a highly selective dual responding fluoride sensor having active methylene group as binding site. [electronic resource] by Das, Priyadip Kesharwani, Manoj K Mandal, Amal K Suresh, Eringathodi Ganguly, Bishwajit Das, Amitava Producer: 20120605 In: Organic & biomolecular chemistry vol. 10 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Receptor design and extraction of inorganic fluoride ion from aqueous medium. [electronic resource] by Das, Priyadip Mandal, Amal K Kesharwani, Manoj K Suresh, E Ganguly, Bishwajit Das, Amitava Producer: 20111017 In: Chemical communications (Cambridge, England) vol. 47 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 27 results.