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A Monte Carlo Revisiting of N-Methylformamide and Acetone
(Soc Brasileira Quimica, 2011-11-01)
The pure liquids N-methylformamide and acetone have been revisited via Monte Carlo simulations in the NTP ensemble at 1 atm and 25 degrees C. The molecules are all-atom rigid structures, and the intermolecular potential ...
Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water
(2013-04-05)
20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is ...
Hydrogen bonding donation of N-methylformamide with dimethylsulfoxide and water
(2013-04-05)
20% N-methylformamide (NMF) mixtures with water and with dimethylsulfoxide (DMSO) have been studied. A comparison between the hydrogen bonding (H-bond) donation of N-methylformamide with both solvents in the mixtures is ...
A Monte Carlo Revisiting of N-Methylformamide and Acetone
(Soc Brasileira Quimica, 2011-11-01)
The pure liquids N-methylformamide and acetone have been revisited via Monte Carlo simulations in the NTP ensemble at 1 atm and 25 degrees C. The molecules are all-atom rigid structures, and the intermolecular potential ...
A Monte Carlo Revisiting of N-Methylformamide and Acetone
(Soc Brasileira Quimica, 2014)
A hybrid neutron diffraction and computer simulation study on the solvation of N-methylformamide in dimethylsulfoxide
(American Institute of Physics (AIP), 2013-01-28)
The solvation of N-methylformamide (NMF) by dimethylsulfoxide (DMSO) in a 20% NMF/DMSO liquid mixture is investigated using a combination of neutron diffraction augmented with isotopic substitution and Monte Carlo simulations. ...
Theoretical studies on the stability of N-methylformamide in both liquid and gas phases
(Elsevier B.V., 2006-05-20)
Ab initio (restricted Hartree-Fock and DFT) and molecular mechanics calculations at MM2 level were performed for N-methylformamide (NMF) molecule and for three dimers in order to investigate the relative stability of the ...