What Can We Learn about Dispersion from the Conformer Surface of n-Pentane?MARTIN, Jan M. L.The journal of physical chemistry. A. 2013, Vol 117, Num 14, pp 3118-3132, issn 1089-5639, 15 p.Article

An accurate quartic force field, fundamental frequencies, and binding energy for the high energy density material T_dN₄LEE, Timothy J; MARTIN, Jan M. L.Chemical physics letters. 2002, Vol 357, Num 3-4, pp 319-325, issn 0009-2614Article

Halogen-Bonded Supramolecular Assemblies Based on Phenylethynyl Pyridine Derivatives : Driving Crystal Packing through Systematic Chemical ModificationsSHIRMAN, Tanya; LAMERE, Jean-Francois; SHIMON, Linda J. W et al.Crystal growth & design. 2008, Vol 8, Num 8, pp 3066-3072, issn 1528-7483, 7 p.Article

Catalytic reduction of acetone by [(bpy)Rh]⁺: A theoretical mechanistic investigation and insight into cooperativity effects in this systemIRON, Mark A; SUNDERMANN, Andreas; MARTIN, Jan M. L et al.Journal of the American Chemical Society. 2003, Vol 125, Num 37, pp 11430-11441, issn 0002-7863, 12 p.Article

The mechanism of aluminum-catalyzed Meerwein-Schmidt-Ponndorf-Verley reduction of carbonyls to alcoholsCOHEN, Revital; GRAVES, Christopher R; NGUYEN, Sonbinh T et al.Journal of the American Chemical Society. 2004, Vol 126, Num 45, pp 14796-14803, issn 0002-7863, 8 p.Article

On the integration accuracy in molecular density functional theory calculations using Gaussian basis setsMARTIN, Jan M. L; BAUSCHLICHER, Charles W; RICCA, Alessandra et al.Computer physics communications. 2001, Vol 133, Num 2-3, pp 189-201, issn 0010-4655Article

The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological MoleculeFOGUERI, Uma R; KOZUCH, Sebastian; KARTON, Amir et al.The journal of physical chemistry. A. 2013, Vol 117, Num 10, pp 2269-2277, issn 1089-5639, 9 p.Article

Platinum stilbazoles : Ring-walking coupled with aryl-halide bond activationSTRAWSER, David; KARTON, Amir; ZENKINA, Olena V et al.Journal of the American Chemical Society. 2005, Vol 127, Num 26, pp 9322-9323, issn 0002-7863, 2 p.Article

Aromatic vs aliphatic C-H bond activation by rhodium(I) as a function of agostic interactions: Catalytic H/D exchange between olefins and methanol or waterRYBTCHINSKI, Boris; COHEN, Revital; BEN-DAVID, Yehoshoa et al.Journal of the American Chemical Society. 2003, Vol 125, Num 36, pp 11041-11050, issn 0002-7863, 10 p.Article

TpPtMe(H)₂: Why is there HID scrambling of the methyl group but not methane loss?IRON, Mark A; LO, H. Christine; MARTIN, Jan M. L et al.Journal of the American Chemical Society. 2002, Vol 124, Num 24, pp 7041-7054, issn 0002-7863Article