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Gadre, Shridhar R
301
results:
Search for persons
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Online (301)
Mediatypes
Articles (Online) (279)
Bookchapter (Online) (2)
OpenAccess-fulltext (20)
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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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
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/..
1-15