Amity Andersen
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Effects of La2O3 on the Mixed Higher Alcohols Synthesis from Syngas over Co Catalysts: A Combined Theoretical and Experimental Study
VM Lebarbier, D Mei, DH Kim, A Andersen, JL Male, JE Holladay, ...
The Journal of Physical Chemistry C 115 (35), 17440-17451, 2011
Collision-Induced Dissociation and Theoretical Studies of Mg+ Complexes with CO, CO2, NH3, CH4, CH3OH, and C6H6
A Andersen, F Muntean, D Walter, C Rue, PB Armentrout
The Journal of Physical Chemistry A 104 (4), 692-705, 2000
Hybrid density functional theory predictions of low-temperature dimethyl ether combustion pathways. II. Chain-branching energetics and possible role of the Criegee intermediate
A Andersen, EA Carter
The Journal of Physical Chemistry A 107 (44), 9463-9478, 2003
Adsorption of Potassium on MoS2(100) Surface: A First-Principles Investigation
A Andersen, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, D Mei
The Journal of Physical Chemistry C 115 (18), 9025-9040, 2011
First-Principles Characterization of Potassium Intercalation in Hexagonal 2H-MoS2
A Andersen, SM Kathmann, MA Lilga, KO Albrecht, RT Hallen, D Mei
The Journal of Physical Chemistry C 116 (2), 1826-1832, 2012
Operando solid-state NMR observation of solvent-mediated adsorption-reaction of carbohydrates in zeolites
L Qi, R Alamillo, WA Elliott, A Andersen, DW Hoyt, ED Walter, KS Han, ...
ACS Catalysis 7 (5), 3489-3500, 2017
Unraveling the Origin of Structural Disorder in High Temperature Transition Al2O3: Structure of θ-Al2O3
L Kovarik, M Bowden, D Shi, NM Washton, A Andersen, JZ Hu, J Lee, ...
Chemistry of Materials 27 (20), 7042-7049, 2015
Highly Selective Colorimetric and Luminescence Response of a Square-Planar Platinum(II) Terpyridyl Complex to Aqueous TcO4
S Chatterjee, AE Norton, MK Edwards, JM Peterson, SD Taylor, SA Bryan, ...
Inorganic chemistry 54 (20), 9914-9923, 2015
First-principles-derived kinetics of the reactions involved in low-temperature dimethyl ether oxidation
A Andersen, EA Carter
Molecular Physics 106 (2-4), 367-396, 2008
Controlling the charge state and redox properties of supported polyoxometalates via soft landing of mass-selected ions
KDD Gunaratne, GE Johnson, A Andersen, D Du, W Zhang, ...
The Journal of Physical Chemistry C 118 (48), 27611-27622, 2014
A hybrid density functional theory study of the low‐temperature dimethyl ether combustion pathways. I: Chain‐propagation
A Andersen, EA Carter
Israel journal of chemistry 42 (2‐3), 245-260, 2002
Visible Light Absorption of N-Doped TiO2 Rutile Using (LR/RT)-TDDFT and Active Space EOMCCSD Calculations
N Govind, K Lopata, R Rousseau, A Andersen, K Kowalski
The Journal of Physical Chemistry Letters 2 (21), 2696-2701, 2011
Protein–mineral interactions: molecular dynamics simulations capture importance of variations in mineral surface composition and structure
A Andersen, PN Reardon, SS Chacon, NP Qafoku, NM Washton, ...
Langmuir 32 (24), 6194-6209, 2016
Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg
G Nandipati, N Govind, A Andersen, A Rohatgi
Journal of Physics: Condensed Matter 28 (15), 155001, 2016
Comprehensive experimental and computational spectroscopic study of hexacyanoferrate complexes in water: From infrared to x-ray wavelengths
M Ross, A Andersen, ZW Fox, Y Zhang, K Hong, JH Lee, A Cordones, ...
The Journal of Physical Chemistry B 122 (19), 5075-5086, 2018
Insight into Selected Reactions in Low-Temperature Dimethyl Ether Combustion from Born− Oppenheimer Molecular Dynamics
A Andersen, EA Carter
The Journal of Physical Chemistry A 110 (4), 1393-1407, 2006
Exploring Fuel Cell Cathode Materials: A High Throughput Calculation Approach
J Gavartin, M Sarwar, D Papageorgopoulos, D Gunn, S Garcia, A Perlov, ...
ECS Transactions 25 (1), 1335, 2009
Modeling optical spectra of large organic systems using real-time propagation of semiempirical effective Hamiltonians
S Ghosh, A Andersen, L Gagliardi, CJ Cramer, N Govind
Journal of chemical theory and computation 13 (9), 4410-4420, 2017
Structure and dynamics of polysulfide clusters in a nonaqueous solvent mixture of 1, 3-dioxolane and 1, 2-dimethoxyethane
A Andersen, NN Rajput, KS Han, H Pan, N Govind, KA Persson, ...
Chemistry of Materials 31 (7), 2308-2319, 2019
Surface interactions and confinement of methane: a high pressure magic angle spinning NMR and computational chemistry study
S Ok, DW Hoyt, A Andersen, J Sheets, SA Welch, DR Cole, KT Mueller, ...
Langmuir 33 (6), 1359-1367, 2017
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