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Lionel A Truflandier

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Journal of the American Chemical Society|February 20, 2010
Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solutionLionel A Truflandier, Jochen Autschbach
Inorganic Chemistry|June 10, 2017
Uranyl Carbonate Complexes in Aqueous Solution and Their Ligand NMR Chemical Shifts and <sup>17</sup>O Quadrupolar Relaxation Studied by ab Initio Molecular DynamicsAlex Marchenko, Lionel A Truflandier, Jochen Autschbach
Inorganic Chemistry|January 6, 2011
Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivativesLionel A Truflandier, Kiplangat Sutter, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 8, 2011
NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFTKiplangat Sutter, Lionel A Truflandier, Jochen Autschbach
Angewandte Chemie (International Ed. in English)|December 1, 2010
(29)Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interactionLionel A Truflandier, Erica Brendler, Jörg Wagler, et al.
The Journal of Chemical Physics|November 3, 2020
Notes on density matrix perturbation theoryLionel A Truflandier, Rivo M Dianzinga, David R Bowler
The Journal of Chemical Physics|March 10, 2016
Communication: Generalized canonical purification for density matrix minimizationLionel A Truflandier, Rivo M Dianzinga, David R Bowler
Journal of Chemical Theory and Computation|July 19, 2017
Quadrupolar NMR Relaxation from ab Initio Molecular Dynamics: Improved Sampling and Cluster Models versus Periodic CalculationsAdam Philips, Alex Marchenko, Lionel A Truflandier, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 30, 2012
Atomic contributions from spin-orbit coupling to 29Si NMR chemical shifts in metallasilatrane complexesJochen Autschbach, Kiplangat Sutter, Lionel A Truflandier, et al.
Journal of Computational Chemistry|June 27, 2020
Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugsTeruo Hirakawa, David R Bowler, Tsuyoshi Miyazaki, et al.
Pageof 2

Showing results (1-10 of 12) with videos related to

Sort By:
Pageof 2
Journal of the American Chemical Society|February 20, 2010
Probing the solvent shell with 195Pt chemical shifts: density functional theory molecular dynamics study of Pt(II) and Pt(IV) anionic complexes in aqueous solutionLionel A Truflandier, Jochen Autschbach
Inorganic Chemistry|June 10, 2017
Uranyl Carbonate Complexes in Aqueous Solution and Their Ligand NMR Chemical Shifts and <sup>17</sup>O Quadrupolar Relaxation Studied by ab Initio Molecular DynamicsAlex Marchenko, Lionel A Truflandier, Jochen Autschbach
Inorganic Chemistry|January 6, 2011
Solvent effects and dynamic averaging of 195Pt NMR shielding in cisplatin derivativesLionel A Truflandier, Kiplangat Sutter, Jochen Autschbach
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 8, 2011
NMR J-coupling constants in cisplatin derivatives studied by molecular dynamics and relativistic DFTKiplangat Sutter, Lionel A Truflandier, Jochen Autschbach
Angewandte Chemie (International Ed. in English)|December 1, 2010
(29)Si DFT/NMR observation of spin-orbit effect in metallasilatrane sheds some light on the strength of the metal→silicon interactionLionel A Truflandier, Erica Brendler, Jörg Wagler, et al.
The Journal of Chemical Physics|November 3, 2020
Notes on density matrix perturbation theoryLionel A Truflandier, Rivo M Dianzinga, David R Bowler
The Journal of Chemical Physics|March 10, 2016
Communication: Generalized canonical purification for density matrix minimizationLionel A Truflandier, Rivo M Dianzinga, David R Bowler
Journal of Chemical Theory and Computation|July 19, 2017
Quadrupolar NMR Relaxation from ab Initio Molecular Dynamics: Improved Sampling and Cluster Models versus Periodic CalculationsAdam Philips, Alex Marchenko, Lionel A Truflandier, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|August 30, 2012
Atomic contributions from spin-orbit coupling to 29Si NMR chemical shifts in metallasilatrane complexesJochen Autschbach, Kiplangat Sutter, Lionel A Truflandier, et al.
Journal of Computational Chemistry|June 27, 2020
Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugsTeruo Hirakawa, David R Bowler, Tsuyoshi Miyazaki, et al.
Pageof 2