Reduced-density-matrix mechanics: with application to many-electron atoms and molecules AJ Coleman, M Rosina, DA Mazziotti, RM Erdahl, BJ Braams, JK Percus, ... John Wiley & Sons, Inc. 134, 1-9, 2007 | 344 | 2007 |
Performance of DFT methods in the calculation of optical spectra of TCF-chromophores J Andzelm, BC Rinderspacher, A Rawlett, J Dougherty, R Baer, N Govind Journal of Chemical Theory and Computation 5 (10), 2835-2846, 2009 | 76 | 2009 |
Role of metal–ligand bond strength and phase separation on the mechanical properties of metallopolymer films AC Jackson, FL Beyer, SC Price, BC Rinderspacher, RH Lambeth Macromolecules 46 (14), 5416-5422, 2013 | 67 | 2013 |
The First Enantiomerically Pure [n]Triangulanes and Analogues: σ‐[n]Helicenes with Remarkable Features A de Meijere, AF Khlebnikov, SI Kozhushkov, RR Kostikov, PR Schreiner, ... Chemistry–A European Journal 8 (4), 828-842, 2002 | 60 | 2002 |
Molecular dynamics simulations of adsorption of catechol and related phenolic compounds to alumina surfaces IC Yeh, JL Lenhart, BC Rinderspacher The Journal of Physical Chemistry C 119 (14), 7721-7731, 2015 | 50 | 2015 |
Pseudotetrahedral polyhaloadamantanes as chirality probes: synthesis, separation, and absolute configuration PR Schreiner, AA Fokin, O Lauenstein, Y Okamoto, T Wakita, ... Journal of the American Chemical Society 124 (45), 13348-13349, 2002 | 49 | 2002 |
Computational study of thermal and mechanical properties of nylons and bio-based furan polyamides IC Yeh, BC Rinderspacher, JW Andzelm, LST Cureton, J La Scala Polymer 55 (1), 166-174, 2014 | 46 | 2014 |
The Geometry and Electronic Topology of Higher-Order Charged Möbius Annulenes CS Wannere, HS Rzepa, BC Rinderspacher, A Paul, CSM Allan, ... The Journal of Physical Chemistry A 113 (43), 11619-11629, 2009 | 37 | 2009 |
Structure−Property Relationships of Prototypical Chiral Compounds: Case Studies, BC Rinderspacher, PR Schreiner The Journal of Physical Chemistry A 108 (15), 2867-2870, 2004 | 34 | 2004 |
A Convergent Route to Enantiomerically Pure Higher [n− 2] Triangulanedimethanol Derivatives and [n] Triangulanes (n≥ 7) A de Meijere, AF Khlebnikov, SI Kozhushkov, K Miyazawa, D Frank, ... Angewandte Chemie International Edition 43 (47), 6553-6557, 2004 | 31* | 2004 |
Tetracyclopropylmethane: A Unique Hydrocarbon with S4 Symmetry SI Kozhushkov, RR Kostikov, AP Molchanov, R Boese, J Benet‐Buchholz, ... Angewandte Chemie International Edition 40 (1), 180-183, 2001 | 29* | 2001 |
Syntheses and Properties of Enantiomerically Pure Higher (n ≥ 7) [n−2]Triangulanedimethanols and σ‐[n]Helicenes A de Meijere, AF Khlebnikov, SI Kozhushkov, DS Yufit, OV Chetina, ... Chemistry–A European Journal 12 (22), 5697-5721, 2006 | 28 | 2006 |
Discrete optimization of electronic hyperpolarizabilities in a chemical subspace BC Rinderspacher, J Andzelm, A Rawlett, J Dougherty, DN Beratan, ... Journal of Chemical Theory and Computation 5 (12), 3321-3329, 2009 | 25 | 2009 |
Kinetics studies and characterization of poly (furfuryl alcohol) for use as bio‐based furan novolacs JM Sadler, IC Yeh, FR Toulan, IM McAninch, BC Rinderspacher, ... Journal of Applied Polymer Science 135 (34), 46608, 2018 | 17 | 2018 |
4, 7, 11‐Triheterotrishomocubanes–Propeller‐Shaped Highly Symmetrical Chiral Molecules Derived from Barrelene SI Kozhushkov, T Preuß, DS Yufit, JAK Howard, K Meindl, S Rühl, ... European journal of organic chemistry 2006 (11), 2590-2600, 2006 | 14 | 2006 |
Smooth heuristic optimization on a complex chemical subspace JM Elward, BC Rinderspacher Physical Chemistry Chemical Physics 17 (37), 24322-24335, 2015 | 13 | 2015 |
Molecular dynamics simulation study of adsorption of bioinspired oligomers on alumina surfaces IC Yeh, JL Lenhart, JA Orlicki, BC Rinderspacher The Journal of Physical Chemistry B 123 (32), 7024-7035, 2019 | 11 | 2019 |
Quantifying parameter sensitivity and uncertainty for interatomic potential design: Application to saturated hydrocarbons MA Tschopp, B Chris Rinderspacher, S Nouranian, MI Baskes, ... ASCE-ASME Journal of Risk and Uncertainty in Engineering Systems, Part B …, 2018 | 10 | 2018 |
The role of aromatic π-bridges in push–pull-chromophores on the transparency-hyperpolarizability tradeoff BC Rinderspacher, JW Andzelm, AM Rawlett, JM Dougherty, ... Chemical Physics Letters 507 (4-6), 221-225, 2011 | 9 | 2011 |
Magnetic and energetic properties of transition metal doped alumina EC Nykwest, BC Rinderspacher, JM Elward, RE Brennan, KR Limmer Journal of Physics: Condensed Matter 30 (39), 395801, 2018 | 8 | 2018 |