검색결과 : 5건
| No. | Article |
|---|---|
| 1 |
Depolymerization Pathways for Branching Lignin Spirodienone Units Revealed with ab Initio Steered Molecular Dynamics Mar BD, Kulik HJ Journal of Physical Chemistry A, 121(2), 532, 2017 |
| 2 |
Adapting DFT plus U for the Chemically Motivated Correction of Minimal Basis Set Incompleteness Kulik HJ, Seelam N, Mar BD, Martinez TJ Journal of Physical Chemistry A, 120(29), 5939, 2016 |
| 3 |
Ab Initio Screening Approach for the Discovery of Lignin Polymer Breaking Pathways Mar BD, Qi HW, Liu F, Kulik HJ Journal of Physical Chemistry A, 119(24), 6551, 2015 |
| 4 |
A Remote Stereochemical Lever Arm Effect in Polymer Mechanochemistry Wang JP, Kouznetsova TB, Kean ZS, Fan L, Mar BD, Martinez TJ, Craig SL Journal of the American Chemical Society, 136(43), 15162, 2014 |
| 5 |
The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules Isborn CM, Mar BD, Curchod BFE, Tavernelli I, Martinez TJ Journal of Physical Chemistry B, 117(40), 12189, 2013 |