Alan C. Goren

Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell

Junjun Liu, Casey P. Kelly, Alan C. Goren et al. · Journal of Chemical Theory and Computation · 2010 · 55 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Dynamics of 1,2-Hydrogen Migration in Carbenes and Ring Expansion in Cyclopropylcarbenes

Titus V. Albu, Benjamin J. Lynch, Donald G. Truhlar et al. · The Journal of Physical Chemistry A · 2002 · 47 citations

Natural Sciences, Chemistry, Physics +17

Understanding Microscopic Binding of Human Microsomal Prostaglandin E Synthase-1 (mPGES-1) Trimer with Substrate PGH₂ and Cofactor GSH: Insights from Computational Alanine Scanning and Site-directed Mutagenesis

Adel Hamza, Min Tong, Mohamed Diwan M. AbdulHameed et al. · The Journal of Physical Chemistry B · 2010 · 46 citations

Life Sciences, Biochemistry, Pharmacology +17

The Search for Bishomoaromatic Semibullvalenes and Barbaralanes:  Computational Evidence of Their Identification by UV/Vis and IR Spectroscopy and Prediction of the Existence of a <i>Blue</i> Bishomoaromatic Semibullvalene

Alan C. Goren, David A. Hrovat, Maximilian Seefelder et al. · Journal of the American Chemical Society · 2002 · 44 citations

Natural Sciences, Chemistry, Physics +17

Experimental and Theoretical Study of Stabilization of Delocalized Forms of Semibullvalenes and Barbaralanes by Dipolar and Polarizable Solvents. Observation of a Delocalized Structure that Is Lower in Free Energy than the Localized Form

Maximilian Seefelder, Markus Heubes, Helmut Quast et al. · The Journal of Organic Chemistry · 2005 · 40 citations

Natural Sciences, Chemistry, Physics +14