화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Solvent Composition Effects on the Structural Properties of the A beta 42 Monomer from the 3D-RISM-KH Molecular Theory of Solvation
Blinov N, Wishart DS, Kovalenko A
Journal of Physical Chemistry B, 123(11), 2491, 2019
2 Predicting Accurate Solvation Free Energy in n-Octanol Using 3D-RISM-KH Molecular Theory of Solvation: Making Right Choices
Roy D, Blinov N, Kovalenko A
Journal of Physical Chemistry B, 121(39), 9268, 2017
3 Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction
Huang WJ, Blinov N, Koyalenko A
Journal of Physical Chemistry B, 119(17), 5588, 2015
4 Calculation of Local Water Densities in Biological Systems: A Comparison of Molecular Dynamics Simulations and the 3D-RISM-KH Molecular Theory of Solvation
Stumpe MC, Blinov N, Wishart D, Kovalenko A, Pande VS
Journal of Physical Chemistry B, 115(2), 319, 2011
5 Connection between the observable and centroid structural properties of a quantum fluid: Application to liquid para-hydrogen
Blinov N, Roy PN
Journal of Chemical Physics, 120(8), 3759, 2004
6 On the calculation of single-particle time correlation functions from Bose-Einstein centroid dynamics
Moffatt P, Blinov N, Roy PN
Journal of Chemical Physics, 120(10), 4614, 2004
7 Path integral Monte Carlo approach for weakly bound van der Waals complexes with rotations: Algorithm and benchmark calculations
Blinov N, Song XG, Roy PN
Journal of Chemical Physics, 120(13), 5916, 2004
8 Quantum Monte Carlo study of helium clusters doped with nitrous oxide: Quantum solvation and rotational dynamics
Moroni S, Blinov N, Roy PN
Journal of Chemical Physics, 121(8), 3577, 2004
9 An effective centroid Hamiltonian and its associated centroid dynamics for indistinguishable particles in a harmonic trap
Blinov N, Roy PN
Journal of Chemical Physics, 116(12), 4808, 2002
10 Operator formulation of centroid dynamics for Bose-Einstein and Fermi-Dirac statistics
Blinov N, Roy PN
Journal of Chemical Physics, 115(17), 7822, 2001