검색결과 : 46건
| No. | Article |
|---|---|
| 1 |
Electron transfer modifies chemical properties of C-70 fullerene surface: An ab initio molecular dynamics study of C70O3 molozonides doped with light atoms Bil A, Hutter J, Morrison CA Chemical Physics Letters, 605, 93, 2014 |
| 2 |
Dielectric Properties of Water Ice, the Ice Ih/XI Phase Transition, and an Assessment of Density Functional Theory Schonherr M, Slater B, Hutter J, VandeVondele J Journal of Physical Chemistry B, 118(2), 590, 2014 |
| 3 |
Chiral Distortion of Confined Ice Oligomers (n=5,6) Ma HF, Ding Y, Iannuzzi M, Brugger T, Berner S, Hutter J, Osterwalder J, Greber T Langmuir, 28(43), 15246, 2012 |
| 4 |
Semiempirical Self-Consistent Polarization Description of Bulk Water, the Liquid-Vapor Interface, and Cubic Ice Murdachaew G, Mundy CJ, Schenter GK, Laino T, Hutter J Journal of Physical Chemistry A, 115(23), 6046, 2011 |
| 5 |
Endocyclic Cleavage in Glycosides with 2,3-trans Cyclic Protecting Groups Satoh H, Manabe S, Ito Y, Luthi HP, Laino T, Hutter J Journal of the American Chemical Society, 133(14), 5610, 2011 |
| 6 |
Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions Schmidt J, VandeVondele J, Kuo IFW, Sebastiani D, Siepmann JI, Hutter J, Mundy CJ Journal of Physical Chemistry B, 113(35), 11959, 2009 |
| 7 |
Computational study of thymine dimer radical anion splitting in the self-repair process of duplex DNA Masson F, Laino T, Tavernelli I, Rothlisberger U, Hutter J Journal of the American Chemical Society, 130(11), 3443, 2008 |
| 8 |
Density functional embedding for molecular systems Iannuzzi M, Kirchner B, Hutter J Chemical Physics Letters, 421(1-3), 16, 2006 |
| 9 |
Simulating fluid-phase equilibria of water from first principles McGrath MJ, Siepmann JI, Kuo IFW, Mundy CJ, VandeVondele J, Hutter J, Mohamed F, Krack M Journal of Physical Chemistry A, 110(2), 640, 2006 |
| 10 |
Car-parrinello molecular dynamics simulation of liquid formic acid Bako I, Hutter J, Palinkas G Journal of Physical Chemistry A, 110(6), 2188, 2006 |