( en | de | ru )

 

Disambiguation of "Thiel, W."

Author of the publication

copydeleteadd this publication to your clipboard
QM/MM free-energy perturbation compared to thermodynamic integration and umbrella sampling: Application to an enzymatic reaction

, , , , and . JOURNAL OF CHEMICAL THEORY AND COMPUTATION, (March 2006)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

Verena Thiel

Charakterisierung chemischer Signalstoffe aus Bakterien. TU Braunschweig, (2009)

W Gaul

W Wulfhekel

W Kläui

W Osthoff

 

Other publications of authors with the same name

QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis, , , , , , , , , and 13 other author(s). JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, (2003)Combined quantum mechanical and molecular mechanical approaches, and . CHIMIA, 52 (6): 288--291 (1998)Enzymatic reactions of triosephosphate isomerase: A theoretical calibration study, , , and . JOURNAL OF PHYSICAL CHEMISTRY B, 106 (7): 1758--1767 (2002)Anharmonic force fields from density functional theory, and . CHEMICAL PHYSICS LETTERS, 273 (1-2): 71--78 (1997)Adjusted connection atoms for combined quantum mechanical and molecular mechanical methods, and . JOURNAL OF PHYSICAL CHEMISTRY A, 103 (46): 9290--9295 (1999)Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction, , , and . J.\,Chem.\,Phys., (2008)Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3, , , and . J. Chem. Theory Comput., (2009)QM/MM free-energy perturbation compared to thermodynamic integration and umbrella sampling: Application to an enzymatic reaction, , , , and . JOURNAL OF CHEMICAL THEORY AND COMPUTATION, (March 2006)Perspectives on semiempirical molecular orbital theory. ADVANCES IN CHEMICAL PHYSICS, VOL XCIII, (1996)A nonlocal correlation energy density functional from a Coulomb hole model, and . INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 62 (6): 603--616 (1997)