| Selective Binding of O2 over N2 in a Redox–Active Metal–Organic Framework with Open Iron(II) Coordination Sites ED Bloch, LJ Murray, WL Queen, S Chavan, SN Maximoff, JP Bigi, ... Journal of the American Chemical Society 133 (37), 14814-14822, 2011 | 533 | 2011 |
| Ab initio carbon capture in open-site metal–organic frameworks AL Dzubak, LC Lin, J Kim, JA Swisher, R Poloni, SN Maximoff, B Smit, ... Nature chemistry 4 (10), 810-816, 2012 | 352 | 2012 |
| Assessment of Density Functionals for Predicting One-Bond Carbon− Hydrogen NMR Spin− Spin Coupling Constants SN Maximoff, JE Peralta, V Barone, GE Scuseria Journal of Chemical Theory and Computation 1 (4), 541-545, 2005 | 85 | 2005 |
| Current-dependent extension of the Perdew–Burke–Ernzerhof exchange-correlation functional SN Maximoff, M Ernzerhof, GE Scuseria The Journal of chemical physics 120 (5), 2105-2109, 2004 | 81 | 2004 |
| Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals SN Maximoff, GE Scuseria Chemical physics letters 390 (4-6), 408-412, 2004 | 51 | 2004 |
| Challenge of creating accurate and effective kinetic-energy functionals SS Iyengar, M Ernzerhof, SN Maximoff, GE Scuseria Physical Review A 63 (5), 052508, 2001 | 48 | 2001 |
| Chemistry of fast electrons SN Maximoff, MP Head-Gordon Proceedings of the National Academy of Sciences 106 (28), 11460-11465, 2009 | 43 | 2009 |
| DNA polymerase λ active site favors a mutagenic mispair between the enol form of deoxyguanosine triphosphate substrate and the keto form of thymidine template: A free energy … SN Maximoff, SCL Kamerlin, J Florián The Journal of Physical Chemistry B 121 (33), 7813-7822, 2017 | 26 | 2017 |
| Exchange energy functionals based on the full fourth-order density matrix expansion SN Maximoff, GE Scuseria The Journal of Chemical Physics 114 (24), 10591-10597, 2001 | 22 | 2001 |
| Role of wave functions' nodal surfaces in interpretation of the Pauli principle EA Smolenskii, PP Aristov, SY Itshenko, SA Shpilkin, SN Maximoff Journal of chemical information and computer sciences 36 (3), 402-408, 1996 | 20 | 1996 |
| Redox chemistry and metal–insulator transitions intertwined in a nano-porous material SN Maximoff, B Smit Nature Communications 5 (1), 4032, 2014 | 17 | 2014 |
| Functionals of quantities other than the electron density: Approximations to the exchange energy M Ernzerhof, SN Maximoff, GE Scuseria The Journal of chemical physics 116 (10), 3980-3984, 2002 | 17 | 2002 |
| Performance evaluation of activated carbon sorbents for indoor air purification during normal and wildfire events SN Maximoff, R Mittal, A Kaushik, JS Dhau Chemosphere 304, 135314, 2022 | 10 | 2022 |
| Crystal structures of bis (2-methoxy-3-pyridyl) diselenide and bis (2-methoxy-3-pyridyl) ditelluride: an investigation by X-ray crystallography and DFT calculations A Singh, SN Maximoff, P Brandão, JS Dhau Journal of Molecular Structure 1240, 130568, 2021 | 10 | 2021 |
| Functionals of the square kinetic energy density SN Maximoff, M Ernzerhof, GE Scuseria The Journal of chemical physics 117 (7), 3074-3080, 2002 | 9 | 2002 |
| Model of aerosol evolution in high supersaturated glycerol-air vapor mixtures SP Fisenko, AA Rostami, DB Kane, YB Pithawalla, SN Maximoff, W Li, ... Aerosol Science and Technology 55 (8), 871-885, 2021 | 6 | 2021 |
| Role of charge transfer in catalytic hydrogen oxidation over platinum SN Maximoff The Journal of Physical Chemistry C 121 (5), 2696-2701, 2017 | 6 | 2017 |
| Graph-theoretical study of the nodal structure of the degenerate-state wave functions SN Maximoff, SA Shpilkin, EA Smolenskii Physical Review A 61 (2), 022501, 2000 | 4 | 2000 |
| Molecular dynamics simulations of homogeneous nucleation of liquid phase in highly supersaturated propylene glycol vapors SN Maximoff, A Salehi, AA Rostami Journal of Aerosol Science 154, 105743, 2021 | 2 | 2021 |
| Role of surface phenomena in the reaction of molecular solids: the Diels–Alder reaction on pentacene S Piranej, MAWS Sayers, GJ Deye, SN Maximoff, JP Hopwood, H Park, ... CrystEngComm 22 (24), 4108-4115, 2020 | 2 | 2020 |
