| 1 |
Far-Infrared Synchrotron Spectroscopy and Quantum Chemical Calculations of the Potentially Important Interstellar Molecule, 2-Chloroethanol
Soliday RM, Bunn H, Sumner I, Raston PL
Journal of Physical Chemistry A, 123(6), 1208, 2019 |
| 2 |
Proton Transport Pathways in [NiFe]-Hydrogenase
Sumner I, Voth GA
Journal of Physical Chemistry B, 116(9), 2917, 2012 |
| 3 |
Gauging the Flexibility of the Active Site in Soybean Lipoxygenase-1 (SLO-1) through an Atom-Centered Density Matrix Propagation (ADMP) Treatment That Facilitates the Sampling of Rare Events
Phatak P, Sumner I, Iyengar SS
Journal of Physical Chemistry B, 116(34), 10145, 2012 |
| 4 |
Hydrogen tunneling in an enzyme active site: A quantum wavepacket dynamical perspective
Iyengar SS, Sumner I, Jakowski J
Journal of Physical Chemistry B, 112(25), 7601, 2008 |
| 5 |
Quantum wavepacket ab initio molecular dynamics: An approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects
Sumner I, Iyengar SS
Journal of Physical Chemistry A, 111(41), 10313, 2007 |
