화학공학소재연구정보센터
검색결과 : 131건
No. Article
1 Bond Dissociation Energy of Peroxides Revisited
Bach RD, Schlegel HB
Journal of Physical Chemistry A, 124(23), 4742, 2020
2 Angular Dependence of Strong Field Ionization of 2-Phenylethyl-N,N-dimethylamine (PENNA) Using Time-Dependent Configuration Interaction with an Absorbing Potential
Hoerner P, Li W, Schlegel HB
Journal of Physical Chemistry A, 124(23), 4777, 2020
3 Virtual Issue on Strong Field Chemistry
Li W, Schlegel HB
Journal of Physical Chemistry A, 123(19), 4095, 2019
4 Computational Study of the Formation of C8, C5, and C4 Guanine:Lysine Adducts via Oxidation of Guanine by Sulfate Radical Anion
Thapa B, Hebert SP, Munk BH, Burrows CJ, Schlegel HB
Journal of Physical Chemistry A, 123(24), 5150, 2019
5 DFT Investigation of Ligand Photodissociation in [Ru-II(tpy)(bpy)(py)](2+) and [Ru-II(tpy)(Me(2)bpy(py))](2+) Complexes
Nisbett K, Tu YJ, Turro C, Kodanko JJ, Schlegel HB
Inorganic Chemistry, 57(1), 231, 2018
6 Immobilization of an Amphiphilic Molecular Cobalt Catalyst on Carbon Black for Ligand-Assisted Water Oxidation
Baydoun H, Burdick J, Thapa B, Wickramasinghe L, Li D, Niklas J, Poluektov OG, Schlegel HB, Verani CN
Inorganic Chemistry, 57(16), 9748, 2018
7 Angular Dependence of Ionization by Circularly Polarized Light Calculated with Time-Dependent Configuration Interaction with an Absorbing Potential
Hoerner P, Schlegel HB
Journal of Physical Chemistry A, 121(6), 1336, 2017
8 Improved pK(a) Prediction of Substituted Alcohols, Phenols, and Hydroperoxides in Aqueous Medium Using Density Functional Theory and a Cluster-Continuum Solvation Model
Thapa B, Schlegel HB
Journal of Physical Chemistry A, 121(24), 4698, 2017
9 Angular Dependence of Strong Field Ionization of CH3X (X = F, Cl, Br, or I) Using Time-Dependent Configuration Interaction with an Absorbing Potential
Hoerner P, Schlegel HB
Journal of Physical Chemistry A, 121(31), 5940, 2017
10 Selective Release of Aromatic Heterocycles from Ruthenium Tris(2-pyridylmethyl)amine with Visible Light
Li A, White JK, Arora K, Herroon MK, Martin PD, Schlegel HB, Podgorski I, Turro C, Kodanko JJ
Inorganic Chemistry, 55(1), 10, 2016