עקוב אחר
Hadi (Mohammadhasan) Dinpajooh
Hadi (Mohammadhasan) Dinpajooh
כתובת אימייל מאומתת בדומיין pnnl.gov
כותרת
צוטט על ידי
צוטט על ידי
שנה
Accurate and precise determination of critical properties from Gibbs ensemble Monte Carlo simulations
M Dinpajooh, P Bai, DA Allan, JI Siepmann
The Journal of Chemical Physics 143 (11), 2015
622015
Accuracy, transferability, and efficiency of coarse-grained models of molecular liquids
MG Guenza, M Dinpajooh, J McCarty, IY Lyubimov
The Journal of Physical Chemistry B 122 (45), 10257-10278, 2018
382018
Dielectric constant of water in the interface
M Dinpajooh, D Matyushov
J. Chem. Phys. 145, 014504, 2016
382016
Free energy functionals for polarization fluctuations: Pekar factor revisited
M Dinpajooh, MD Newton, DV Matyushov
The Journal of chemical physics 146 (6), 2017
352017
On the density dependence of the integral equation coarse-graining effective potential
M Dinpajooh, MG Guenza
The Journal of Physical Chemistry B 122 (13), 3426-3440, 2017
292017
Polarizability of the active site of cytochrome c reduces the activation barrier for electron transfer
M Dinpajooh, DR Martin, DV Matyushov
Scientific reports 6 (1), 28152, 2016
282016
Structure–toxicity relationship for aliphatic compounds using quantum topological descriptors
A Mohajeri, MH Dinpajooh
Journal of Molecular Structure: THEOCHEM 855 (1-3), 1-5, 2008
232008
Free energy of ion hydration: Interface susceptibility and scaling with the ion size
M Dinpajooh, DV Matyushov
The Journal of Chemical Physics 143 (4), 2015
192015
Coarse-graining simulation approaches for polymer melts: The effect of potential range on computational efficiency
M Dinpajooh, MG Guenza
Soft matter 14 (35), 7126-7144, 2018
182018
Heat conduction in polymer chains with controlled end-to-end distance
M Dinpajooh, A Nitzan
The Journal of Chemical Physics 153 (16), 2020
162020
Thermodynamic consistency in the structure-based integral equation coarse-grained method
M Dinpajooh, MG Guenza
Polymer 117, 282-286, 2017
162017
Polarizability of the Active Site in Enzymatic Catalysis: Cytochrome c
DR Martin, M Dinpajooh, DV Matyushov
The Journal of Physical Chemistry B 123 (50), 10691-10699, 2019
132019
Deriving linear isotherms for solids
M Shokouhi, GA Parsafar, M Dinpajooh
Fluid phase equilibria 271 (1-2), 94-102, 2008
132008
Non-Gaussian lineshapes and dynamics of time-resolved linear and nonlinear (correlation) spectra
M Dinpajooh, DV Matyushov
The Journal of Physical Chemistry B 118 (28), 7925-7936, 2014
122014
Heat conduction in polymer chains: Effect of substrate on the thermal conductance
M Dinpajooh, A Nitzan
The Journal of Chemical Physics 156 (14), 2022
112022
Dinucleotides as simple models of the base stacking-unstacking component of DNA ‘breathing’mechanisms
ER Beyerle, M Dinpajooh, H Ji, PH von Hippel, AH Marcus, MG Guenza
Nucleic acids research 49 (4), 1872-1885, 2021
102021
Interfacial structural transition in hydration shells of a polarizable solute
M Dinpajooh, DV Matyushov
Physical Review Letters 114 (20), 207801, 2015
102015
Universality and specificity in protein fluctuation dynamics
J Copperman, M Dinpajooh, ER Beyerle, MG Guenza
Physical Review Letters 119 (15), 158101, 2017
92017
Efficient methods for including quantum effects in Monte Carlo calculations of large systems: extension of the displaced points path integral method and other effective …
SL Mielke, M Dinpajooh, JI Siepmann, DG Truhlar
The Journal of Chemical Physics 138 (1), 2013
92013
Mobility of nanometer-size solutes in water driven by electric field
M Dinpajooh, D Matyushov
Physica A: Statistical Mechanics and its Applications 463 (1), 366-375, 2016
62016
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מאמרים 1–20