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Riddhish Pandharkar
36  Ergebnisse:
Personensuche X
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1

Factors Affecting the Mechanism of 1,3-Butadiene Polymeriza..:

Shao, Huiling ; Pandharkar, Riddhish ; Cramer, Christopher J.
Organometallics.  41 (2022)  2 - p. 169-177 , 2022
Link: https://doi.org/10.1021/..
 
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2

Localized Quantum Chemistry on Quantum Computers:

Otten, Matthew ; Hermes, Matthew R. ; Pandharkar, Riddhish...
Journal of Chemical Theory and Computation.  18 (2022)  12 - p. 7205-7217 , 2022
Link: https://doi.org/10.1021/..
 
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3

Multireference Study of Optically Addressable Vanadium-Base..:

Goh, Teffanie ; Pandharkar, Riddhish ; Gagliardi, Laura
The Journal of Physical Chemistry A.  126 (2022)  36 - p. 6329-6335 , 2022
Link: https://doi.org/10.1021/..
 
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4

Localized Active Space-State Interaction: a Multireference ..:

Pandharkar, Riddhish ; Hermes, Matthew R. ; Cramer, Christopher J..
Journal of Chemical Theory and Computation.  18 (2022)  11 - p. 6557-6566 , 2022
Link: https://doi.org/10.1021/..
 
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5

Investigating the effect of metal nuclearity on activity fo..:

Wang, Qining ; Pengmei, Zihan ; Pandharkar, Riddhish...
Journal of Catalysis.  407 (2022)  - p. 162-173 , 2022
Link: https://doi.org/10.1016/..
 
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6

Multiconfiguration Pair-Density Functional Theory for Chrom..:

Sauza-de la Vega, Arturo ; Pandharkar, Riddhish ; Stroscio, Gautam D....
JACS Au.  2 (2022)  9 - p. 2029-2037 , 2022
Link: https://doi.org/10.1021/..
 
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7

Electronic structure of strongly correlated systems: recent..:

Zhou, Chen ; Hermes, Matthew R. ; Wu, Dihua...
Chemical Science.  13 (2022)  26 - p. 7685-7706 , 2022
Link: https://doi.org/10.1039/..
 
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8

Excited States of Crystalline Point Defects with Multirefer..:

Mitra, Abhishek ; Pham, Hung Q. ; Pandharkar, Riddhish..
The Journal of Physical Chemistry Letters.  12 (2021)  48 - p. 11688-11694 , 2021
Link: https://doi.org/10.1021/..
 
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9

Localized Active Space Pair-Density Functional Theory:

Pandharkar, Riddhish ; Hermes, Matthew R. ; Cramer, Christopher J...
Journal of Chemical Theory and Computation.  17 (2021)  5 - p. 2843-2851 , 2021
Link: https://doi.org/10.1021/..
 
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10

Variational Localized Active Space Self-Consistent Field Me..:

Hermes, Matthew R. ; Pandharkar, Riddhish ; Gagliardi, Laura
Journal of Chemical Theory and Computation.  16 (2020)  8 - p. 4923-4937 , 2020
Link: https://doi.org/10.1021/..
 
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11

Insights into the Structure–Activity Relationships in Metal..:

Wang, Xingjie ; Zhang, Xuan ; Pandharkar, Riddhish...
ACS Catalysis.  10 (2020)  16 - p. 8995-9005 , 2020
Link: https://doi.org/10.1021/..
 
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12

A New Mixing of Nonlocal Exchange and Nonlocal Correlation ..:

Pandharkar, Riddhish ; Hermes, Matthew R. ; Truhlar, Donald G..
The Journal of Physical Chemistry Letters.  11 (2020)  23 - p. 10158-10163 , 2020
Link: https://doi.org/10.1021/..
 
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13

Isomerization and Selective Hydrogenation of Propyne: Scree..:

Hackler, Ryan A. ; Pandharkar, Riddhish ; Ferrandon, Magali S....
Journal of the American Chemical Society.  142 (2020)  48 - p. 20380-20389 , 2020
Link: https://doi.org/10.1021/..
 
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14

Spin-State Ordering in Metal-Based Compounds Using the Loca..:

Pandharkar, Riddhish ; Hermes, Matthew R. ; Cramer, Christopher J..
The Journal of Physical Chemistry Letters.  10 (2019)  18 - p. 5507-5513 , 2019
Link: https://doi.org/10.1021/..
 
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15

A Computational Study of AlF3 and ACF Surfaces:

Pandharkar, Riddhish ; Becker, Christian ; Budau, Johannes Horst..
Inorganics.  6 (2018)  4 - p. 124 , 2018
Link: https://doi.org/10.3390/..
 
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