E-LIB Suche - Ergebnisse für: Barrera, Maria Cecilia

1

Experimental methodology for measuring performance of 3D pr..:

, In: IEEE EUROCON 2023 - 20th International Conference on Smart Technologies,

Josifovic, Aleksandar ; Barrera, Maria Cecilia ; Leech, Damien... - p. 717-722 , 2023

2

What is the Optimal Dipole Moment for Nonpolarizable Models..:

Jorge, Miguel ; Barrera, Maria Cecilia ; Milne, Andrew W...
Journal of Chemical Theory and Computation. 19 (2023) 6 - p. 1790-1804 , 2023

Link: https://doi.org/10.1021/..

3

Polarization-consistent force field for ketones:

Barrera, Maria Cecilia ; Cree, Jordan ; Gomes, José R.B..
Journal of Molecular Liquids. 383 (2023) - p. 122070 , 2023

Link: https://doi.org/10.1016/..

4

Correction to "New Force-Field for Organosilicon Molecules ..:

Jorge, Miguel ; Stavert, Tom ; Milne, Andrew W...
ACS Physical Chemistry Au. 2 (2022) 3 - p. 265-265 , 2022

Link: https://doi.org/10.1021/..

5

The dipole moment of alcohols in the liquid phase and in so..:

Jorge, Miguel ; Gomes, José R.B. ; Barrera, Maria Cecilia
Journal of Molecular Liquids. 356 (2022) - p. 119033 , 2022

Link: https://doi.org/10.1016/..

6

New Force-Field for Organosilicon Molecules in the Liquid P..:

Jorge, Miguel ; Milne, Andrew W. ; Barrera, Maria Cecilia.
ACS Physical Chemistry Au. 1 (2021) 1 - p. 54-69 , 2021

Link: https://doi.org/10.1021/..

7

A Polarization-Consistent Model for Alcohols to Predict Sol..:

Barrera, Maria Cecilia ; Jorge, Miguel
Journal of Chemical Information and Modeling. 60 (2020) 3 - p. 1352-1367 , 2020

Link: https://doi.org/10.1021/..

8

What is the Optimal Dipole Moment for Nonpolarizable Models..:

Jorge, Miguel ; Barrera, Maria Cecilia ; Milne, Andrew W..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10061682/. , 2023

Link: http://www.ncbi.nlm.nih...

9

Polarization-consistent force field for ketones:

Barrera, Maria Cecilia ; Cree, Jordan ; Gomes, José R. B.
https://strathprints.strath.ac.uk/85438/7/Barrera_etal_JML_2023_Polarization_consistent_force_field_for_ketones.pdf. , 2023

Link: https://strathprints.str..

10

Polarization-consistent force field for ketones:

Barrera, Maria Cecilia ; Cree, Jordan ; Gomes, José R.B.
info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50011%2F2020/PT. , 2023

Link: http://hdl.handle.net/10..

11

What is the optimal dipole moment for non-polarizable model..:

Jorge, Miguel ; Barrera, Maria Cecilia ; Milne, Andrew W..
https://strathprints.strath.ac.uk/84329/7/Jorge_etal_JCTC_2023_What_is_the_optimal_dipole_moment_for_non_polarizable_models.pdf. , 2023

Link: https://strathprints.str..

12

Correction to "New Force-Field for Organosilicon Molecules ..:

Jorge, Miguel ; Stavert, Tom ; Milne, Andrew W..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9718312/. , 2022

Link: http://www.ncbi.nlm.nih...

13

The dipole moment of alcohols in the liquid phase and in so..:

Jorge, Miguel ; Gomes, José R. B ; Barrera, Maria Cecilia
info:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50011%2F2020/PT. , 2022

Link: http://hdl.handle.net/10..

14

The dipole moment of alcohols in the liquid phase and in so..:

Jorge, Miguel ; Gomes, José R.B ; Barrera, Maria Cecilia
https://strathprints.strath.ac.uk/80113/7/Jorge_etal_JML_2022_The_dipole_moment_of_alcohols_in_the_liquid_phase.pdf. , 2022

Link: https://strathprints.str..

15

New force-field for organosilicon molecules in the liquid p..:

Jorge, Miguel ; Milne, Andrew W ; Barrera, Maria Cecilia.
https://strathprints.strath.ac.uk/77617/1/Jorge_etal_ACSPCAU_2021_New_force_field_for_organosilicon_molecules_in_the_liquid_state.pdf. , 2021

Link: https://strathprints.str..