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Mehta, Nisha
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1

On the sensitivity of computed partial charges toward basis..:

Mehta, Nisha ; Martin, Jan M. L.
Journal of Computational Chemistry.  45 (2024)  13 - p. 1017-1032 , 2024
Link: https://doi.org/10.1002/..
 
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2

The Importance of Tight f Basis Functions for Heavy p-Block..:

Mehta, Nisha ; Martin, Jan M. L.
The Journal of Physical Chemistry A.  127 (2023)  9 - p. 2104-2112 , 2023
Link: https://doi.org/10.1021/..
 
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3

Reduced-Scaling Double Hybrid Density Functional Theory wit..:

Mehta, Nisha ; Martin, Jan M. L.
The Journal of Physical Chemistry Letters.  13 (2022)  40 - p. 9332-9338 , 2022
Link: https://doi.org/10.1021/..
 
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4

MP2-F12 Basis Set Convergence near the Complete Basis Set L..:

Mehta, Nisha ; Martin, Jan M. L.
The Journal of Physical Chemistry A.  126 (2022)  24 - p. 3964-3971 , 2022
Link: https://doi.org/10.1021/..
 
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5

S66x8 noncovalent interactions revisited: new benchmark and..:

Santra, Golokesh ; Semidalas, Emmanouil ; Mehta, Nisha..
Physical Chemistry Chemical Physics.  24 (2022)  41 - p. 25555-25570 , 2022
Link: https://doi.org/10.1039/..
 
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6

Explicitly Correlated Double-Hybrid DFT: A Comprehensive An..:

Mehta, Nisha ; Martin, Jan M. L.
Journal of Chemical Theory and Computation.  18 (2022)  10 - p. 5978-5991 , 2022
Link: https://doi.org/10.1021/..
 
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7

An external validation of the QCovid risk prediction algori..:

Nafilyan, Vahé ; Humberstone, Ben ; Mehta, Nisha...
The Lancet Digital Health.  3 (2021)  7 - p. e425-e433 , 2021
Link: https://doi.org/10.1016/..
 
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8

CHAL336 Benchmark Set: How Well Do Quantum-Chemical Methods..:

Mehta, Nisha ; Fellowes, Thomas ; White, Jonathan M..
Journal of Chemical Theory and Computation.  17 (2021)  5 - p. 2783-2806 , 2021
Link: https://doi.org/10.1021/..
 
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9

Risk prediction of covid-19 related death and hospital admi..:

Hippisley-Cox, Julia ; Coupland, Carol AC ; Mehta, Nisha...
BMJ.  , 2021
Link: https://doi.org/10.1136/..
 
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10

Clam‐like Cyclotricatechylene‐based Capsules: Identifying t..:

Mehta, Nisha ; Abrahams, Brendan F. ; Goerigk, Lars
Chemistry – An Asian Journal.  15 (2020)  8 - p. 1301-1314 , 2020
Link: https://doi.org/10.1002/..
 
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11

Challenges for large scale simulation: general discussion:

Brandenburg, Jan Gerit ; Burke, Kieron ; Civalleri, Bartolomeo...
Faraday Discussions.  224 (2020)  - p. 309-332 , 2020
Link: https://doi.org/10.1039/..
 
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12

New approaches to study excited states in density functiona..:

Brandenburg, Jan Gerit ; Burke, Kieron ; Fromager, Emmanuel...
Faraday Discussions.  224 (2020)  - p. 483-508 , 2020
Link: https://doi.org/10.1039/..
 
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13

Living risk prediction algorithm (QCOVID) for risk of hospi..:

Clift, Ash K ; Coupland, Carol A C ; Keogh, Ruth H...
BMJ.  , 2020
Link: https://doi.org/10.1136/..
 
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14

Semi-empirical or non-empirical double-hybrid density funct..:

Mehta, Nisha ; Casanova-Páez, Marcos ; Goerigk, Lars
Physical Chemistry Chemical Physics.  20 (2018)  36 - p. 23175-23194 , 2018
Link: https://doi.org/10.1039/..
 
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15

Satisfaction with psychiatric in-patient care as rated by p..:

Krupchanka, Dzmitry ; Khalifeh, Hind ; Abdulmalik, Jibril...
Social Psychiatry and Psychiatric Epidemiology.  52 (2017)  8 - p. 989-1003 , 2017
Link: https://doi.org/10.1007/..
 
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