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Ahirwar, Mini Bharati
30  Ergebnisse:
Personensuche X
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1

Molecular Tailoring Approach for the Direct Estimation of I..:

Ahirwar, Mini Bharati ; Gadre, Shridhar R. ; Deshmukh, Milind M.
The Journal of Physical Chemistry A.  , 2024
Link: https://doi.org/10.1021/..
 
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2

Two-Step ONIOM Method for the Accurate Estimation of Indivi..:

Ahirwar, Mini Bharati ; Deshmukh, Milind M.
The Journal of Physical Chemistry A.  127 (2023)  5 - p. 1219-1232 , 2023
Link: https://doi.org/10.1021/..
 
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3

One-pot C–C, C–N, and C–S bond construction for synthesis o..:

Rastogi, Sumit K. ; Singh, Richa ; Kumar, Santosh...
Organic & Biomolecular Chemistry.  21 (2023)  4 - p. 838-845 , 2023
Link: https://doi.org/10.1039/..
 
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4

Fragments‐in‐fragments method for efficient and reliable es..:

Ahirwar, Mini Bharati ; Deshmukh, Milind M.
Journal of Computational Chemistry.  44 (2023)  23 - p. 1861-1874 , 2023
Link: https://doi.org/10.1002/..
 
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5

On the Short-Range Nature of Cooperativity in Hydrogen-Bond..:

Ahirwar, Mini Bharati ; Gadre, Shridhar R. ; Deshmukh, Milind M.
The Journal of Physical Chemistry A.  127 (2023)  20 - p. 4394-4406 , 2023
Link: https://doi.org/10.1021/..
 
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6

Hydrogen bond energy estimation (H‐BEE) in large molecular ..:

Ahirwar, Mini Bharati ; Khire, Subodh S. ; Gadre, Shridhar R..
Journal of Computational Chemistry.  45 (2023)  5 - p. 274-283 , 2023
Link: https://doi.org/10.1002/..
 
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7

Energetic Ordering of Hydrogen Bond Strengths in Methanol‐W..:

Patkar, Deepak ; Ahirwar, Mini Bharati ; Deshmukh, Milind M.
ChemPhysChem.  23 (2022)  10 - p. , 2022
Link: https://doi.org/10.1002/..
 
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8

Hydration shell model for expeditious and reliable individu..:

Ahirwar, Mini Bharati ; Gurav, Nalini D. ; Gadre, Shridhar R..
Physical Chemistry Chemical Physics.  24 (2022)  25 - p. 15462-15473 , 2022
Link: https://doi.org/10.1039/..
 
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9

Assessment of hydrogen bond strengths and cooperativity in ..:

Patkar, Deepak ; Ahirwar, Mini Bharati ; Shrivastava, Satya Prakash.
New Journal of Chemistry.  46 (2022)  5 - p. 2368-2379 , 2022
Link: https://doi.org/10.1039/..
 
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10

Synthesis, structural, and DFT studies of mixed ligand copp..:

Deshpande, Megha S ; Morajkar, Sudesh M ; Ahirwar, Mini Bharati..
Journal of Chemical Sciences.  133 (2021)  4 - p. , 2021
Link: https://doi.org/10.1007/..
 
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11

Molecular Tailoring Approach for Estimating Individual Inte..:

Ahirwar, Mini Bharati ; Gurav, Nalini D. ; Gadre, Shridhar R..
The Journal of Physical Chemistry A.  125 (2021)  28 - p. 6131-6140 , 2021
Link: https://doi.org/10.1021/..
 
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12

Effect of the electronic structure on the robustness of rut..:

Deshpande, Megha S. ; Morajkar, Sudesh M. ; Srinivasan, Bikshandarkoil R...
New Journal of Chemistry.  45 (2021)  12 - p. 5437-5451 , 2021
Link: https://doi.org/10.1039/..
 
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13

Unusually Large Hydrogen-Bond Cooperativity in Hydrogen Flu..:

Patkar, Deepak ; Ahirwar, Mini Bharati ; Gadre, Shridhar R..
The Journal of Physical Chemistry A.  125 (2021)  40 - p. 8836-8845 , 2021
Link: https://doi.org/10.1021/..
 
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14

Appraisal of individual hydrogen bond strengths and coopera..:

Ahirwar, Mini Bharati ; Patkar, Deepak ; Yadav, Itee.
Physical Chemistry Chemical Physics.  23 (2021)  32 - p. 17224-17231 , 2021
Link: https://doi.org/10.1039/..
 
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15

Direct and Reliable Method for Estimating the Hydrogen Bond..:

Ahirwar, Mini Bharati ; Gadre, Shridhar R. ; Deshmukh, Milind M.
The Journal of Physical Chemistry A.  124 (2020)  33 - p. 6699-6706 , 2020
Link: https://doi.org/10.1021/..
 
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