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Journal of Computational Chemistry
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January 7, 2012
Two-step evaluation of binding energy and potential energy surface of van der Waals complexes
Milind M Deshmukh, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 27, 2023
Two-Step ONIOM Method for the Accurate Estimation of Individual Hydrogen Bond Energy in Large Molecular Clusters
Mini Bharati Ahirwar, Milind M Deshmukh
The Journal of Physical Chemistry. A
|
June 6, 2009
Estimation of N-H...O=C intramolecular hydrogen bond energy in polypeptides
Milind M Deshmukh, Shridhar R Gadre
Molecules (Basel, Switzerland)
|
June 2, 2021
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
Milind M Deshmukh, Shridhar R Gadre
Journal of Computational Chemistry
|
May 16, 2023
Fragments-in-fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters
Mini Bharati Ahirwar, Milind M Deshmukh
Physical Chemistry Chemical Physics : PCCP
|
January 6, 2023
Characterization of non-covalent contacts in mono- and di-halo substituted acetaldehydes: probing the substitution effects of electron donating and withdrawing groups
Deepak Patkar, Milind M Deshmukh, Deepak Chopra
Journal of Computational Chemistry
|
June 12, 2019
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline
Vijay Singh, Shigeyoshi Sakaki, Milind M Deshmukh
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 21, 2022
A Tug of War between the Self- and Cross-associating Hydrogen Bonds in Neutral Ammonia-Water Clusters: Energetic Insights by Molecular Tailoring Approach
Deepak Patkar, Mini Bharati Ahirwar, Milind M Deshmukh
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 18, 2022
Energetic Ordering of Hydrogen Bond Strengths in Methanol-Water Clusters: Insights via Molecular Tailoring Approach
Deepak Patkar, Mini Bharati Ahirwar, Milind M Deshmukh
The Journal of Physical Chemistry. A
|
December 19, 2007
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approach
Milind M Deshmukh, Libero J Bartolotti, Shridhar R Gadre
Page
of 4
Search research articles
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Showing results (1-10 of 40) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
January 7, 2012
Two-step evaluation of binding energy and potential energy surface of van der Waals complexes
Milind M Deshmukh, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 27, 2023
Two-Step ONIOM Method for the Accurate Estimation of Individual Hydrogen Bond Energy in Large Molecular Clusters
Mini Bharati Ahirwar, Milind M Deshmukh
The Journal of Physical Chemistry. A
|
June 6, 2009
Estimation of N-H...O=C intramolecular hydrogen bond energy in polypeptides
Milind M Deshmukh, Shridhar R Gadre
Molecules (Basel, Switzerland)
|
June 2, 2021
Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy
Milind M Deshmukh, Shridhar R Gadre
Journal of Computational Chemistry
|
May 16, 2023
Fragments-in-fragments method for efficient and reliable estimates of individual hydrogen bond energies in large molecular clusters
Mini Bharati Ahirwar, Milind M Deshmukh
Physical Chemistry Chemical Physics : PCCP
|
January 6, 2023
Characterization of non-covalent contacts in mono- and di-halo substituted acetaldehydes: probing the substitution effects of electron donating and withdrawing groups
Deepak Patkar, Milind M Deshmukh, Deepak Chopra
Journal of Computational Chemistry
|
June 12, 2019
Theoretical prediction of Ni(I)-catalyst for hydrosilylation of pyridine and quinoline
Vijay Singh, Shigeyoshi Sakaki, Milind M Deshmukh
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 21, 2022
A Tug of War between the Self- and Cross-associating Hydrogen Bonds in Neutral Ammonia-Water Clusters: Energetic Insights by Molecular Tailoring Approach
Deepak Patkar, Mini Bharati Ahirwar, Milind M Deshmukh
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 18, 2022
Energetic Ordering of Hydrogen Bond Strengths in Methanol-Water Clusters: Insights via Molecular Tailoring Approach
Deepak Patkar, Mini Bharati Ahirwar, Milind M Deshmukh
The Journal of Physical Chemistry. A
|
December 19, 2007
Intramolecular hydrogen bonding and cooperative interactions in carbohydrates via the molecular tailoring approach
Milind M Deshmukh, Libero J Bartolotti, Shridhar R Gadre
Page
of 4