화학공학소재연구정보센터
검색결과 : 32건
No. Article
1 Variations of the Hydrogen Bonding and Hydrogen-Bonded Network in Ethanol-Water Mixtures on Cooling
Pothoczki S, Pusztai L, Bako I
Journal of Physical Chemistry B, 122(26), 6790, 2018
2 Structural and Dynamic Heterogeneity of Capillary Wave Fronts at Aqueous Interfaces
Zhou TC, McCue A, Ghadar Y, Bako I, Clark AE
Journal of Physical Chemistry B, 121(38), 9052, 2017
3 Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study
Palotas K, Bako I, Bugyi L
Applied Surface Science, 389, 1094, 2016
4 Hierarchy of the Collective Effects in Water Clusters
Bako I, Mayer I
Journal of Physical Chemistry A, 120(4), 631, 2016
5 On Dipole Moments and Hydrogen Bond Identification in Water Clusters
Bako I, Mayer I
Journal of Physical Chemistry A, 120(25), 4408, 2016
6 Numerical study of the gas flow velocity space in convection reflow oven
Illes B, Bako I
International Journal of Heat and Mass Transfer, 70, 185, 2014
7 Extracting chemical information from plane wave calculations by a 3D'fuzzy atoms' analysis
Bako I, Stirling A, Seitsonen AP, Mayer I
Chemical Physics Letters, 563, 97, 2013
8 Reactivity Models of Hydrogen Activation by Frustrated Lewis Pairs: Synergistic Electron Transfers or Polarization by Electric Field?
Rokob TA, Bako I, Stirling A, Hamza A, Papai I
Journal of the American Chemical Society, 135(11), 4425, 2013
9 A gold cyano complex in nitromethane: MD simulation and X-ray diffraction
Probst M, Injan N, Megyes T, Bako I, Balint S, Limtrakul J, Nazmutdinov R, Mitev PD, Hermansson K
Chemical Physics Letters, 539, 24, 2012
10 The vibrating hydroxide ion in water
Hermansson K, Bopp PA, Spangberg D, Pejov L, Bako I, Mitev PD
Chemical Physics Letters, 514(1-3), 1, 2011