화학공학소재연구정보센터
검색결과 : 14건
No. Article
1 Origin of Many-Body Vibrational Frequency Shifts in Water Clusters
Heindel JP, Knodel ES, Schofield DP
Journal of Physical Chemistry A, 122(33), 6724, 2018
2 Sorption of H-2 to Open Metal Sites in a Metal-Organic Framework: A Symmetry-Adapted Perturbation Theory Analysis
Goings JJ, Ohlsen SM, Blaisdell KM, Schofield DP
Journal of Physical Chemistry A, 118(35), 7411, 2014
3 Vibrational Spectroscopy of the Water-Nitrate Complex in the O-H Stretching Region
Heine N, Kratz EG, Bergmann R, Schofield DP, Asmis KP, Jordan KD, McCoy AB
Journal of Physical Chemistry A, 118(37), 8188, 2014
4 How the Shape of an H-Bonded Network Controls Proton-Coupled Water Activation in HONO Formation
Relph RA, Guasco TL, Elliott BM, Kamrath MZ, McCoy AB, Steele RP, Schofield DP, Jordan KD, Viggiano AA, Ferguson EE, Johnson MA
Science, 327(5963), 308, 2010
5 Molecular Dynamics Simulations of Bromine Clathrate Hydrates
Schofield DP, Jordan KD
Journal of Physical Chemistry A, 113(26), 7431, 2009
6 Hydrogen bonded OH-stretching vibration in the water dimer
Schofield DP, Lane JR, Kjaergaard HG
Journal of Physical Chemistry A, 111(4), 567, 2007
7 Theoretical investigation of the electronically excited states of chlorine hydrate
Schofield DP, Jordan KD
Journal of Physical Chemistry A, 111(32), 7690, 2007
8 Effect of OH internal torsion on the OH-stretching spectrum of cis,cis-HOONO
Schofield DP, Kjaergaard HG
Journal of Physical Chemistry A, 109(9), 1810, 2005
9 Infrared identification of matrix isolated H2O center dot O-2
Cooper PD, Kjaergaard HG, Langford VS, McKinley AJ, Quickenden TI, Robinson TW, Schofield DP
Journal of Physical Chemistry A, 109(19), 4274, 2005
10 High-level ab initio studies of the electronic excited states of the hydroxyl radical and water-hydroxyl complex
Schofield DP, Kjaergaard HG
Journal of Chemical Physics, 120(15), 6930, 2004