20022011
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Fingerprint Dive into the research topics where Rosa Bulo is active. These topic labels come from the works of this person. Together they form a unique fingerprint.

  • 2 Similar Profiles
Carbon Monoxide Chemical Compounds
Azulenes Chemical Compounds
Phosphines Chemical Compounds
Bevel gears Chemical Compounds
Quantum chemistry Chemical Compounds
Alkynes Chemical Compounds
Molecular dynamics Chemical Compounds
Alkenes Chemical Compounds

Research Output 2002 2011

  • 10 Article
  • 1 PhD Thesis - Research VU, graduation VU

PyADF - A scripting framework for multiscale quantum chemistry

Jacob, C. R., Beyhan, S. M., Bulo, R. E., Gomes, A. S. P., Gotz, A. W., Kiewisch, K., Sikkema, J. & Visscher, L., 2011, In : Journal of Computational Chemistry. 2011, 32, p. 2328

Research output: Contribution to JournalArticleAcademicpeer-review

Quantum Chemistry
Quantum chemistry
Work Flow
Multiscale Simulation
Python

Toward a Practical Method for Adaptive QM/MM Simulations

Bulo, R. E., Ensing, B., Sikkema, J. & Visscher, L., 2009, In : Journal of Chemical Theory and Computation. 5, 9, p. 2212-2221

Research output: Contribution to JournalArticleAcademicpeer-review

Molecular dynamics
borders
Potential energy surfaces
Solvation
Computational efficiency

NMR solvent shifts of acetonitrile from frozen density embedding calculations

Bulo, R. E., Jacob, C. R. & Visscher, L., 2008, In : Journal of Physical Chemistry A. 112, 12, p. 2640-2647

Research output: Contribution to JournalArticleAcademicpeer-review

embedding
acetonitrile
Nuclear magnetic resonance
nuclear magnetic resonance
shift

Circumambulatory rearrangement with characteristics of a 2:1 covalent molecular bevel gear

Bulo, R. E., Allaart, F., Ehlers, A. W., de Kanter, F. J. J., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2006, In : Journal of the American Chemical Society. 128, 37, p. 12169-73

Research output: Contribution to JournalArticleAcademicpeer-review

Bevel gears
Carbon Monoxide

3H-benzophosphepine complexes: versatile phosphinidene precursors

Borst, M. L. G., Bulo, R. E., Gibney, D., Alem, Y., de Kanter, F. J. J., Ehlers, A. W., Schakel, M., Lutz, M., Spek, A. L. & Lammertsma, K., 2005, In : Journal of the American Chemical Society. 127, 48, p. 16985-99

Research output: Contribution to JournalArticleAcademicpeer-review

Activities 2000 2002

  • 7 Lecture / Presentation

Vinylphosphirane-Phospholene Rearrangements - Pericyclic [1,3] Sigmatropic Shifts or not ?

R.E. Bulo (Speaker), A.W. Ehlers (Speaker), S. Grimme (Speaker), K. Lammertsma (Speaker)
5 Aug 2002

Activity: Lecture / PresentationAcademic

Novel Rearrangements of Complexed Phosphiranes

R.E. Bulo (Speaker), M. Schakel (Speaker), F.J.J. De Kanter (Speaker), A.W. Ehlers (Speaker), K. Lammertsma (Speaker)
14 Jun 2002

Activity: Lecture / PresentationAcademic

Vinylphosphirane-Phospholene Rearrangements - Pericyclic [1,3] Sigmatropic Shifts or not ?

R.E. Bulo (Speaker), A.W. Ehlers (Speaker), S. Grimme (Speaker), K. Lammertsma (Speaker)
31 Oct 2002

Activity: Lecture / PresentationAcademic

New Rearrangements of Complexed Phosphiranes. Derived from Cyclic Polyenes

R.E. Bulo (Speaker), L. Trion (Speaker), M. Schakel (Speaker), F.J.J. De Kanter (Speaker), A.W. Ehlers (Speaker), K. Lammertsma (Speaker)
6 Mar 2002

Activity: Lecture / PresentationAcademic

How do phosphinidenes react with aromatics ?

R.E. Bulo (Speaker), B. Wang (Speaker), M. Schakel (Speaker), F.J.J. De Kanter (Speaker), A.W. Ehlers (Speaker), K. Lammertsma (Speaker)
6 Mar 2001

Activity: Lecture / PresentationAcademic