Milind M. Deshmukh

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Shridhar GadreDistinguished Professor, SPPU, PuneVerified email at iitk.ac.in
Mini Bharati AhirwarPost Doctoral Fellow, Kyoto University, Kyoto, JapanVerified email at kyoto-u.ac.jp
Shigeyoshi Sakaki OR S. SakakiKyoto University OR Kumamoto UniversityVerified email at st.kyoto-u.ac.jp
Deepak PatkarPh.D. Theoretical and Computational Chemistry, Dr. Harisingh Gour Vishwavidyalaya Sagar MP-470003Verified email at dhsgsu.edu.in
Lee BartolottiProfessor of Chemistry, East Carolina UniversityVerified email at ecu.edu
Susumu KitagawaKyoto UniversityVerified email at icems.kyoto-u.ac.jp
Suresh C. H.CSIR-NIISTVerified email at niist.res.in
Anil KumarDelhi Technological UniversityVerified email at dce.ac.in
Ralf Tonner-ZechUniversität LeipzigVerified email at uni-leipzig.de
Deepali AhluwaliaS. S. Jain Subodh P.G. (Autonomous) CollegeVerified email at dtu.ac.in
NV SastrySardar Patel UniversityVerified email at spuvvn.edu
Jayshree KhedkarPOSTECH, KOREAVerified email at ibs.re.kr
Shridhar GejjiProfessor of Chemistry, Savitribai Phule Pune UniversityVerified email at chem.unipune.ac.in
Ravindra KumarPrincipal scientist and Associate professor (AcSIR), medicinal and process chemistry division, CSIRVerified email at cdri.res.in
Brijesh Kumar MishraKrea UniversityVerified email at krea.edu.in
Venkatnarayan RamanathanIIT(BHU) Varanasi, IIT Kanpur, University of Stuttgart, Seoul National UniversityVerified email at scbt.sastra.edu
Gurunath RamanathanIIT KanpurVerified email at iitk.ac.in
Chen-Hsiung HungInstitute of Chemistry Academia SinicaVerified email at chem.sinica.edu.tw
Emilio J. CocineroUniversidad del País VascoVerified email at ehu.es
Dr. Megha S. Deshpandedepartment of chemistry, Goa UniversityVerified email at uky.edu

Milind M. Deshmukh

Ph.D. MRSC, Assistant Professor, Dr. Harisingh Gour Vishwavidyalaya, (A Central University), Sagar

Verified email at dhsgsu.edu.in - Homepage

Theoretical Chemistry Computational Chemistry


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Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approach MM Deshmukh, LJ Bartolotti, SR Gadre The Journal of Physical Chemistry A 112 (2), 312-321, 2008	115	2008
Estimation of intramolecular hydrogen bond energy via molecular tailoring approach MM Deshmukh, SR Gadre, LJ Bartolotti The Journal of Physical Chemistry A 110 (45), 12519-12523, 2006	101	2006
Estimation of N− H··· O C Intramolecular Hydrogen Bond Energy in Polypeptides MM Deshmukh, SR Gadre The Journal of Physical Chemistry A 113 (27), 7927-7932, 2009	96	2009
Absorption of CO₂ and CS₂ into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions MM Deshmukh, M Ohba, S Kitagawa, S Sakaki Journal of the American chemical society 135 (12), 4840-4849, 2013	77	2013
Intramolecular hydrogen bond energy in polyhydroxy systems: a critical comparison of molecular tailoring and isodesmic approaches MM Deshmukh, CH Suresh, SR Gadre The Journal of Physical Chemistry A 111 (28), 6472-6480, 2007	73	2007
Molecular electrostatic potentials of divalent carbon (0) compounds MM Deshmukh, SR Gadre, R Tonner, G Frenking Physical Chemistry Chemical Physics 10 (17), 2298-2301, 2008	55	2008
Intramolecular hydrogen bond energy and cooperative interactions in α‐, β‐, and γ‐cyclodextrin conformers MM Deshmukh, LJ Bartolotti, SR Gadre Journal of Computational Chemistry 32 (14), 2996-3004, 2011	51	2011
Generation of dihydrogen molecule and hydrosilylation of carbon dioxide catalyzed by zinc hydride complex: theoretical understanding and prediction MM Deshmukh, S Sakaki Inorganic Chemistry 53 (16), 8485-8493, 2014	48	2014
Molecular interpretation of water structuring and destructuring effects: Hydration of alkanediols MM Deshmukh, NV Sastry, SR Gadre The Journal of chemical physics 121 (24), 12402-12410, 2004	44	2004
Hydrogen Bond Energies and Cooperativity in Substituted Calix[n]arenes (n = 4, 5) JK Khedkar, MM Deshmukh, SR Gadre, SP Gejji The Journal of Physical Chemistry A 116 (14), 3739-3744, 2012	40	2012
Direct and reliable method for estimating the hydrogen bond energies and cooperativity in water clusters, Wn, n= 3 to 8 MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 124 (33), 6699-6706, 2020	38	2020
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy MM Deshmukh, SR Gadre Molecules 26 (10), 2928, 2021	37	2021
Theoretical study of nickel-catalyzed selective alkenylation of pyridine: reaction mechanism and crucial roles of Lewis acid and ligands in determining the selectivity V Singh, Y Nakao, S Sakaki, MM Deshmukh The Journal of Organic Chemistry 82 (1), 289-301, 2017	36	2017
Ni (I)-hydride catalyst for hydrosilylation of carbon dioxide and dihydrogen generation: theoretical prediction and exploration of full catalytic cycle V Singh, S Sakaki, MM Deshmukh Organometallics 37 (8), 1258-1270, 2018	28	2018
Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Fluoride Clusters,(HF) n, n= 3 to 8, Revealed by the Molecular Tailoring Approach D Patkar, MB Ahirwar, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 125 (40), 8836-8845, 2021	21	2021
Appraisal of Individual Hydrogen Bond Strengths and Cooperativity in Ammonia Clusters via Molecular Tailoring Approach MB Ahirwar, D Patkar, I Yadav, MM Deshmukh Physical Chemistry Chemical Physics 23 (32), 17224-17231, 2021	20	2021
Molecular Tailoring Approach for Estimating Individual Intermolecular Interaction Energies in Benzene Clusters MB Ahirwar, ND Gurav, SR Gadre, MM Deshmukh The Journal of Physical Chemistry A 125 (28), 6131-6140, 2021	19	2021
C–H··· π interactions and the nature of the donor carbon atom BK Mishra, MM Deshmukh, R Venkatnarayan The Journal of Organic Chemistry 79 (18), 8599-8606, 2014	19	2014
Effect of substitutions on the geometry and intramolecular hydrogen bond strength in meta-benziporphodimethenes: A new porphyrin analogue D Ahluwalia, A Kumar, SG Warkar, MM Deshmukh Journal of Molecular Structure 1220, 128773, 2020	18	2020
Structures, stability and hydrogen bonding in inositol conformers N Siddiqui, V Singh, MM Deshmukh, R Gurunath Physical Chemistry Chemical Physics 17 (28), 18514-18523, 2015	18	2015

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