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Crystal structure
Hydrogen bonds
9
Quantum chemical calculations
8
Single crystals
8
Quantum chemistry
6
X ray diffraction
6
Hydrazones
5
IR and Raman spectroscopy
5
Amino acids
4
Binding energy
4
Calculations
4
Carboxyl groups
4
Carboxylic acids
4
Chemical bonds
4
DFT calculation
4
DFT calculations
4
Differential scanning calorimetry
4
Hydrogen
4
Hydrogen bondings
4
Intermolecular interactions
4
Models, Molecular
4
Molecular dynamics
4
Organic acids
4
Pm3 calculations
4
Smectic mesophase
4
Smectic phasis
4
Title compounds
4
Turning points
4
chemistry
4
metabolism
4
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1por Galván, Jorge Edgardo, Defonsi Lestard, Maria Eliana, Piro, Oscar Enrique, Echeverría, Gustavo Alberto, Molina, Rocío Daniela Inés, Arena, Mario Eduardo, Ulic, Sonia Elizabeth, Tuttolomondo, María Eugenia, Ben Altabef, AídaMaterias: “...NBO calculations...”
Publicado 2018
Aportado por: SEDICI (UNLP)Articulo Preprint -
2
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3Materias: “...Variational calculation...”
JOUR -
4Publicado 2015Materias: “...Calculations...”
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5Materias: “...Calculations...”
JOUR -
6
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7Materias: “...DFT calculations...”
JOUR -
8Publicado 2018Materias: “...Ab initio calculations...”
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9Materias: “...Ab initio calculations...”
JOUR -
10por Saeed, Aamer, Qasim, Muhammad, Hussain, Majid, Flörke, Ulrich, Erben, Mauricio FedericoMaterias: “...Quantum chemical calculations...”
Publicado 2015
Aportado por: SEDICI (UNLP)Articulo -
11por Burgos López, Yacelis, Plá, Julián del, Balsa, Lucía Mariana, León, Ignacio Esteban, Echeverría, Gustavo Alberto, Piro, Oscar Enrique, García Ojal, Javier, Pis Diez, Reinaldo, González Baró, Ana Cecilia, Parajón Costa, Beatriz SusanaMaterias: “...DFT calculations...”
Publicado 2019
Aportado por: SEDICI (UNLP)Articulo Preprint -
12por Gil, Diego M., Lizarraga, E., Echeverría, Gustavo Alberto, Piro, Oscar Enrique, Catalán, C. A. N., Ben Altabef, A.Materias: “...Quantum chemical calculations...”
Publicado 2017
Aportado por: SEDICI (UNLP)Articulo -
13Materias: “...DFT calculation...”
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14Materias: “...DFT calculation...”
JOUR -
15
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16Materias: “...Pm3 calculations...”
Artículo publishedVersion -
17Materias: “...Pm3 calculations...”
Artículo publishedVersion -
18Materias: “...Pm3 calculations...”
JOUR -
19Publicado 2015Materias: “...DFT calculation...”
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20por Ebrahimipour, S.Y., Sheikhshoaie, I., Mohamadi, M., Suarez, S., Baggio, R., Khaleghi, M., Torkzadeh-Mahani, M., Mostafavi, A.Materias: “...DFT calculation...”
JOUR