화학공학소재연구정보센터
검색결과 : 28건
No. Article
1 Formation of (HCOO-)(H2SO4) Anion Clusters: Violation of Gas-Phase Acidity Predictions
Hou GL, Wang XB, Valiev M
Journal of the American Chemical Society, 139(33), 11321, 2017
2 How Anion Chaotrope Changes the Local Structure of Water: Insights from Photoelectron Spectroscopy and Theoretical Modeling of SCN- Water Clusters
Valiev M, Deng SHM, Wang XB
Journal of Physical Chemistry B, 120(8), 1518, 2016
3 Examining the Amine Functionalization in Dicarboxylates: Photoelectron Spectroscopy and Theoretical Studies of Aspartate and Glutamate
Deng SHM, Hou GL, Kong XY, Valiev M, Wang XB
Journal of Physical Chemistry A, 118(28), 5256, 2014
4 Water assisted reaction mechanism of OH- with CCl4 in aqueous solution -Hybrid quantum mechanical and molecular mechanics investigation
Chen J, Yin HY, Wang DY, Valiev M
Chemical Physics Letters, 559, 30, 2013
5 Simulating Ru L-3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers
Van Kuiken BE, Valiev M, Daifuku SL, Bannan C, Strader ML, Cho HN, Huse N, Schoenlein RW, Govind N, Khalil M
Journal of Physical Chemistry A, 117(21), 4444, 2013
6 Study of Ion Specific Interactions of Alkali Cations with Dicarboxylate Dianions
Murdachaew G, Valiev M, Kathmann SM, Wang XB
Journal of Physical Chemistry A, 116(9), 2055, 2012
7 Hybrid Quantum Mechanical and Molecular Mechanics Study of the S(N)2 Reaction of CCl4 + OH- in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants
Wang TT, Yin HY, Wang DY, Valiev M
Journal of Physical Chemistry A, 116(9), 2371, 2012
8 CH2Cl2+OH- Reaction in Aqueous Solution: A Combined Quantum Mechanical and Molecular Mechanics Study
Wang DY, Valiev M, Garrett BC
Journal of Physical Chemistry A, 115(8), 1380, 2011
9 Structural and Mechanistic Analysis through Electronic Spectra: Aqueous Hyponitrite Radical (N2O2-) and Nitrosyl Hyponitrite Anion (N3O3-)
Valiev M, Lymar SV
Journal of Physical Chemistry A, 115(43), 12004, 2011
10 Hybrid Quantum Mechanical/Molecular Mechanics Study of the S(N)2 Reaction of CH3Cl+OH- in Water
Yin HY, Wang DY, Valiev M
Journal of Physical Chemistry A, 115(43), 12047, 2011