검색결과 : 37건
| No. | Article |
|---|---|
| 1 |
Empirical Classification of Trajectory Data: An Opportunity for the Use of Machine Learning in Molecular Dynamics Carpenter BK, Ezra GS, Farantos SC, Kramer ZC, Wiggins S Journal of Physical Chemistry B, 122(13), 3230, 2018 |
| 2 |
Toward Understanding the Roaming Mechanism in H plus MgH -> Mg plus HH Reaction Mauguiere FAL, Collins P, Stamatiadis S, Li A, Ezra GS, Farantos SC, Kramer ZC, Carpenter BK, Wiggins S, Guo H Journal of Physical Chemistry A, 120(27), 5145, 2016 |
| 3 |
Multiple transition states and roaming in ion-molecule reactions: A phase space perspective Mauguiere FAL, Collins P, Ezra GS, Farantos SC, Wiggins S Chemical Physics Letters, 592, 282, 2014 |
| 4 |
Regulation of Electron and Proton Transfer by the Protein Matrix of Cytochrome c Oxidase Daskalakis V, Farantos SC, Guallar V, Varotsis C Journal of Physical Chemistry B, 115(13), 3648, 2011 |
| 5 |
Bifurcation effects and patterns in the vibrational excited states of isotopically substituted water Mauguiere F, Tyuterev V, Farantos SC Chemical Physics Letters, 494(4-6), 163, 2010 |
| 6 |
A Periodic Orbit Bifurcation Analysis of Vibrationally Excited Isotopologues of Sulfur Dioxide and Water Molecules: Symmetry Breaking Substitutions Mauguiere F, Rey M, Tyuterev V, Suarez J, Farantos SC Journal of Physical Chemistry A, 114(36), 9836, 2010 |
| 7 |
Vibrational Resonances and Cu-B Displacement Controlled by Proton Motion in Cytochrome c Oxidase Daskalakis V, Farantos SC, Guallar V, Varotsis C Journal of Physical Chemistry B, 114(2), 1136, 2010 |
| 8 |
Energy Localization in Molecules, Bifurcation Phenomena, and Their Spectroscopic Signatures: The Global View Farantos SC, Schinke R, Guo H, Joyeux M Chemical Reviews, 109(9), 4248, 2009 |
| 9 |
Heme Cavity Dynamics of Photodissociated CO from ba(3)-Cytochrome c Oxidase: The Role of Ring-D Propionate Porrini M, Daskalakis V, Farantos SC, Varotsis C Journal of Physical Chemistry B, 113(35), 12129, 2009 |
| 10 |
Assigning vibrational spectra of ferryl-oxo intermediates of cytochrome c oxidase by periodic orbits and molecular dynamics Daskalakis V, Farantos SC, Varotsis C Journal of the American Chemical Society, 130(37), 12385, 2008 |