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Gadre, Shridhar R
301  Ergebnisse:
Personensuche X
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1

On the Synergetic Effects of Cyclic Cooperativity in Water ..:

Shivhare, Ayush ; Dehariya, Bharti ; Gadre, Shridhar R..
Physical Chemistry Chemical Physics.  , 2024
Link: https://doi.org/10.1039/..
 
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2

Cluster-in-Cluster Approach for Computing MP2-Level Vibrati..:

Khire, Subodh S. ; Nakajima, Takahito ; Gadre, Shridhar R.
The Journal of Physical Chemistry A.  128 (2024)  18 - p. 3703-3710 , 2024
Link: https://doi.org/10.1021/..
 
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3

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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4

Ring-Polymer Instanton Tunneling Splittings of Tropolone an..:

Nandi, Apurba ; Laude, Gabriel ; Khire, Subodh S....
Journal of the American Chemical Society.  145 (2023)  17 - p. 9655-9664 , 2023
Link: https://doi.org/10.1021/..
 
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5

REAlgo: Rapid and efficient algorithm for estimating MP2/CC..:

Khire, Subodh S. ; Nakajima, Takahito ; Gadre, Shridhar R.
The Journal of Chemical Physics.  159 (2023)  18 - p. , 2023
Link: https://doi.org/10.1063/..
 
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6

Topology of electrostatic potential and electron density re..:

Anjalikrishna, Puthannur K. ; Gadre, Shridhar R. ; Suresh, Cherumuttathu H.
Physical Chemistry Chemical Physics.  25 (2023)  37 - p. 25191-25204 , 2023
Link: https://doi.org/10.1039/..
 
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7

Electrostatic Potential for Exploring Electron Delocalizati..:

Anjalikrishna, Puthannur K. ; Gadre, Shridhar R. ; Suresh, Cherumuttathu H.
The Journal of Organic Chemistry.  88 (2023)  7 - p. 4123-4133 , 2023
Link: https://doi.org/10.1021/..
 
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8

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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9

Constructing Potential Energy Surface with Correlated Theor..:

Khire, Subodh S. ; Gattadahalli, Nandini ; Gurav, Nalini D...
ChemPhysChem.  24 (2023)  10 - p. , 2023
Link: https://doi.org/10.1002/..
 
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10

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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11

Combining fragmentation method and high-performance computi..:

Sahu, Nityananda ; Khire, Subodh S. ; Gadre, Shridhar R.
The Journal of Chemical Physics.  159 (2023)  4 - p. , 2023
Link: https://doi.org/10.1063/..
 
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12

DAMQT 3: Advanced suite for the analysis of molecular densi..:

Kumar, Anmol ; López, Rafael ; Martínez, Frank...
Computer Physics Communications.  279 (2022)  - p. 108460 , 2022
Link: https://doi.org/10.1016/..
 
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13

MTASpec software for calculating the vibrational IR and Ram..:

Khire, Subodh S. ; Sahu, Nityananda ; Gadre, Shridhar R.
Computer Physics Communications.  270 (2022)  - p. 108175 , 2022
Link: https://doi.org/10.1016/..
 
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14

Enabling Rapid and Accurate Construction of CCSD(T)-Level P..:

Khire, Subodh S. ; Gurav, Nalini D. ; Nandi, Apurba.
The Journal of Physical Chemistry A.  126 (2022)  8 - p. 1458-1464 , 2022
Link: https://doi.org/10.1021/..
 
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15

Development and testing of an algorithm for efficient MP2/C..:

Khire, Subodh S. ; Gadre, Shridhar R.
Journal of Computational Chemistry.  44 (2022)  3 - p. 261-267 , 2022
Link: https://doi.org/10.1002/..
 
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