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Aquino, Fredy
43  Ergebnisse:
Personensuche X
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1

Morphological Characterization of Mycobacterium tuberculosi..:

Alva, Alicia ; Aquino, Fredy ; Gilman, Robert H....
PLoS ONE.  8 (2013)  12 - p. e82809 , 2013
Link: https://doi.org/10.1371/..
 
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2

Scalar Relativistic Computations and Localized Orbital Anal..:

Aquino, Fredy ; Pritchard, Ben ; Autschbach, Jochen
Journal of Chemical Theory and Computation.  8 (2012)  2 - p. 598-609 , 2012
Link: https://doi.org/10.1021/..
 
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3

Scalar Relativistic Computations of Nuclear Magnetic Shield..:

Aquino, Fredy ; Govind, Niranjan ; Autschbach, Jochen
Journal of Chemical Theory and Computation.  7 (2011)  10 - p. 3278-3292 , 2011
Link: https://doi.org/10.1021/..
 
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4

Electric Field Gradients Calculated from Two-Component Hybr..:

Aquino, Fredy ; Govind, Niranjan ; Autschbach, Jochen
Journal of Chemical Theory and Computation.  6 (2010)  9 - p. 2669-2686 , 2010
Link: https://doi.org/10.1021/..
 
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5

Accurate Calculation of Zero-Field Splittings of (Bio)inorg..:

Aquino, Fredy ; Rodriguez, Jorge H.
The Journal of Physical Chemistry A.  113 (2009)  32 - p. 9150-9156 , 2009
Link: https://doi.org/10.1021/..
 
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6

First-principle computation of zero-field splittings: Appli..:

Aquino, Fredy ; Rodriguez, Jorge H.
The Journal of Chemical Physics.  123 (2005)  20 - p. , 2005
Link: https://doi.org/10.1063/..
 
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7

Low‐latitude field‐aligned irregularities observed in the E..:

Woodman, Ronald F. ; Chau, Jorge L. ; Aquino, Fredy..
Radio Science.  34 (1999)  4 - p. 983-990 , 1999
Link: https://doi.org/10.1029/..
 
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8

Fractional occupation numbers and self‐interaction correcti..:

Aquino, Fredy W. ; Shinde, Ravindra ; Wong, Bryan M.
Journal of Computational Chemistry.  41 (2020)  12 - p. 1200-1208 , 2020
Link: https://doi.org/10.1002/..
 
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9

Correlating Li+-Solvation Structure and its Electrochemical..:

Fu, Chengyin ; Xu, Lihua ; Aquino, Fredy W....
The Journal of Physical Chemistry Letters.  9 (2018)  7 - p. 1739-1745 , 2018
Link: https://doi.org/10.1021/..
 
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10

The diamine cation is not a chemical example where density ..:

Ali, Zulfikhar A. ; Aquino, Fredy W. ; Wong, Bryan M.
Nature Communications.  9 (2018)  1 - p. , 2018
Link: https://doi.org/10.1038/..
 
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11

Additional Insights between Fermi–Löwdin Orbital SIC and th..:

Aquino, Fredy W. ; Wong, Bryan M.
The Journal of Physical Chemistry Letters.  9 (2018)  22 - p. 6456-6462 , 2018
Link: https://doi.org/10.1021/..
 
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12

Halogen Bonding Interactions: Revised Benchmarks and a New ..:

Anderson, Lindsey N. ; Aquino, Fredy W. ; Raeber, Alexandra E...
Journal of Chemical Theory and Computation.  14 (2017)  1 - p. 180-190 , 2017
Link: https://doi.org/10.1021/..
 
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13

Time-Dependent Density Functional Methods for Raman Spectra..:

Aquino, Fredy W. ; Schatz, George C.
The Journal of Physical Chemistry A.  118 (2014)  2 - p. 517-525 , 2014
Link: https://doi.org/10.1021/..
 
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14

NWChem: Past, Present, and Future:

Apra, Edoardo ; Bylaska, Eric ; De Jong, Wibe...
https://dipot.ulb.ac.be/dspace/bitstream/2013/304099/3/10.10635.0004997.pdf.  , 2020
Link: http://hdl.handle.net/20..
 
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15

Morphological characterization of Mycobacterium tuberculosi..:

Alva, Alicia ; Aquino, Fredy ; Gilman, Robert H...
https://researchonline.lshtm.ac.uk/id/eprint/4652943/1/Morphological%20characterization%20of%20Mycobacterium%20tuberculosis%20in%20a%20MODS%20culture%20for%20an%20automatic%20diagnostics%20through%20pattern%20.pdf.  , 2013
Link: https://researchonline.l..
 
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