| 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 | 98 | 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 | 82 | 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 | 73 | 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 | 48 | 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 | 44 | 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 | 41 | 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 | 36 | 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 | 30 | 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 | 28 | 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 | 26 | 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 | 25 | 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 | 24 | 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 | 21 | 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 | 20 | 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 | 18 | 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 | 17 | 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 | 15 | 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 | 14 | 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 | 13 | 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 | 13 | 2017 |
Niri GovindPacific Northwest National LaboratoryVerified email at pnnl.gov
