Submissions from 2016
Concise, diastereoconvergent synthesis of endiandric-type tetracycles by iterative cross coupling, Eun Bin Go, Shannon P. Wetzler, Lee Joon Kim, Arthur Y. Chang, and David A. Vosburg
Submissions from 2015
Radicinin from Cochliobolus sp. inhibits Xylella fastidiosa, the causal agent of Pierce’s Disease of grapevine, Tomas J. Aldrich, Philippe E. Rolshausen, M. Caroline Roper, Jordan M. Reader, Matthew J. Steinhaus, Jeannette Rapicavoli, David A. Vosburg, and Katherine N. Maloney
Cooperative Loading and Release Behavior of a Metal–Organic Receptor, Quan Gan, Tanya K. Ronson, David A. Vosburg, John D. Thoburn, and Jonathan R. Nitschke
Self-Assembly, Guest Capture, and NMR Spectroscopy of a Metal–Organic Cage in Water, Eun Bin Go, Veerasak Srisuknimit, Stephanie L. Cheng, and David A. Vosburg
Direct, biomimetic synthesis of (+)-artemone via a stereoselective, organocatalytic cyclization, Eric D. Nacsa, Brian C. Fielder, Shannon P. Wetzler, Veerasak Srisuknimit, Jonathan P. Litz, Mary J. Van Vleet, Kim Quach, and David A. Vosburg
Submissions from 2014
Probing the Inverted Classroom: A Controlled Study of Teaching and Learning Outcomes in Undergraduate Engineering and Mathematics, Nancy K. Lape, Rachel Levy, Darryl Yong, Karl A. Haushalter, Rebecca Eddy, and Nancy Hankel
Submissions from 2013
“Click” and Olefin Metathesis Chemistry in Water at Room Temperature Enabled by Biodegradable Micelles, Bruce H. Lipshutz, Zarko Boskovic, Christopher S. Crowe, Victoria K. Davis *14, Hannah C. Whittemore, David A. Vosburg, and Anna G. Wenzel
Solvent-Free Synthesis and Fluorescence of a Thiol-Reactive Sensor for Undergraduate Organic Laboratories, Anastasia L. Patterson, Mary D. May, Bryan J. Visser, Alexander A. Kislukhin, and David A. Vosburg
Synthesis of cis- and trans-Davanoids: Artemone, Hydroxydavanone, Isodavanone, and Nordavanone, Kanny K. Wan '11, Corwyn D. Evans-Klock '13, Brian C. Fielder '14, and David A. Vosburg
Submissions from 2010
Reduced Electronic Spaces for Modeling Donor/Acceptor Interactions, Robert J. Cave; Stephen T. Edwards '06; John A, Kouzelos '07; and Marshall D. Newton
Chemoselective Reactions of Citral: Green Syntheses of Natural Perfumes for the Undergraduate Organic Laboratory, Anna D. Cunningham '11, Eun Y. Ham '12, and David A. Vosburg
Green, Enzymatic Syntheses of Divanillin and Diapocynin for the Organic, Biochemistry, or Advanced General Chemistry Laboratory, Rachel T. Nishimura '09, Chiara H. Giammanco '10, and David A. Vosburg
Two-step, Stereoselective Synthesis of Linalyl Oxides by Asymmetric Allylic O-alkylation, Kanny K. Wan '11, Jonathan P. Litz '09, and David A. Vosburg
A Green, Enantioselective Synthesis of Warfarin for the Undergraduate Organic Laboratory, Terence C. Wong '09, Camille M. Sultana '10, and David A. Vosburg
Generation of Nanoparticles of Controlled Size using Ultrasonic Piezoelectric Oscillators in Solution, Ian K. Wright '09, Andrew P. Higginbotham '09, Shenda M. Baker, and Thomas D. Donnelly
Submissions from 2009
Inducing Chirality with Circularly Polarized Light, Robert J. Cave
A Concise, Biomimetic Total Synthesis of (+)-Davanone, Karen C. Morrison '08, Jonathan P. Litz '09, Kathryn P. Scherpelz '07, Paul D. Dossa '06, and David A. Vosburg
The Initial and Final States of Electron and Energy Transfer Processes: Diabatization as Motivated by System-Solvent Interactions, Joseph E. Subotnik, Robert J. Cave, Ryan P. Steele, and Neil Shenvi
Submissions from 2008
Dynamic Thiolation–thioesterase Structure of a Non-ribosomal Peptide Synthetase, Dominique P. Frueh, Haribabu Arthanari, Alexander Koglin, David A. Vosburg, Andrew E. Bennett, Christopher T. Walsh, and Gerhard Wagner
Constructing Diabatic States from Adiabatic States: Extending Generalized Mulliken–Hush to Multiple Charge Centers with Boys Localization, Joseph E. Subotnik, Robert J. Cave, Sina Yeganeh, and Mark A. Ratner
Teaching Organic Synthesis: A Comparative Case Study Approach, David A. Vosburg
Submissions from 2007
Characterization of the Aminocarboxycyclopropane-Forming Enzyme CmaC, Wendy L. Kelly, Michael T. Boyne II, Ellen Yeh, David A. Vosburg, Danica P. Galonić, Neil L. Kelleher, and Christopher T. Walsh
Submissions from 2006
Non-uniformly Sampled Double-TROSY hNcaNH Experiments for NMR Sequential Assignments of Large Proteins, Dominique P. Frueh, Zhen-Yu J. Sun, David A. Vosburg, Christopher T. Walsh, Jeffrey C. Hoch, and Gerhard Wagner
Determination of all NOes in 1H–13C–Me-ILV-U−2H–15N Proteins with Two Time-Shared Experiments, Dominique P. Frueh, David A. Vosburg, Christopher T. Walsh, and Gerhard Wagner
Tunneling through Weak Interactions: Comparison of Through-Space-, H-Bond-, and Through-Bond-Mediated Tunneling, Westin Kurlancheek '03 and Robert J. Cave
Theoretical Investigation of the Electronic Coupling Element in bis-Ruthenium Porphyrin Dimers, Sean Pheasant '03; John A, Kouzelos '07; Hal Van Ryswyk; and Robert J. Cave
Erratum: The Structure of Alkali Halide Dimers: A Critical Test of Ionic Models and New Ab Initio Results, T. Törring, S. Biermann, J. Hoeft, Richard J. Mawhorter, Robert J. Cave, and C. Szemenyei
Enzymatic Generation of the Antimetabolite γ,γ-Dichloroaminobutyrate by NRPS and Mononuclear Iron Halogenase Action in a Streptomycete, Masashi Ueki, Danica P. Galonić, Frédéric H. Vaillancourt, Sylvie Garneau-Tsodikova, Ellen Yeh, David A. Vosburg, Frank C. Schroeder, Hiroyuki Osada, and Christopher T. Walsh
Dichlorination and Bromination of a Threonyl-S-Carrier Protein by the Non-heme Fe II Halogenase SyrB2, Frédéric H. Vaillancourt, David A. Vosburg, and Christopher T. Walsh
Nature's Inventory of Halogenation Catalysts: Oxidative Strategies Predominate, Frédéric H. Vaillancourt, Ellen Yeh, David A. Vosburg, Sylvie Garneau-Tsodikova, and Christopher T. Walsh
Submissions from 2005
A Comparison of Through-Space and Through-Bond Coupling for Tunneling in Alkane Chains, Emily Cukier '03 and Robert J. Cave
Forced Unraveling of Nucleosomes Assembled on Heterogeneous DNA Using Core Histones, NAP-1, and ACF, Gregory J. Gemmen, Ronald Sim, Karl A. Haushalter, Pu Chun Ke, James T. Kadonaga, and Douglas E. Smith
Two-Dimensional Self-Assembly in Diblock Copolymers, Anette E. Hosoi, Dmitriy Kogan '03, Caitlin E. Devereaux '02, Andrew J. Bernoff, and Shenda M. Baker
A Theoretical Investigation of Charge Transfer in Several Substituted Acridinium Ions, Jason Lappe '00, Robert J. Cave, Marshall D. Newton, and I.V. Rostov
Cryptic Chlorination by a Non-haem Iron Enzyme During Cyclopropyl Amino Acid Biosynthesis, Frédéric H. Vaillancourt, Ellen Yeh, David A. Vosburg, Sarah E. O'Connor, and Christopher T. Walsh
Natural Product Biosynthetic Assembly Lines: Prospects and Challenges for Reprogramming, David A. Vosburg and Christopher T. Walsh
Nature's Assembly Line Logic for Natural Products, Christopher T. Walsh, Ryan G. Kruger, and David A. Vosburg
Submissions from 2004
A Dressed TDDFT Treatment of the 21Ag states of Butadiene and Hexatriene, Robert J. Cave, Fan Zhang, Neepa T. Maitra, and Kieron Burke
Double Excitations within Time-Dependent Density Functional Theory Linear Response, Neepa T. Maitra, Fan Zhang, Robert J. Cave, and Kieron Burke
Submissions from 2003
Chromatin Assembly by DNA-translocating Motors, Karl A. Haushalter and James T. Kadonaga
An Enantioselective Synthesis of FR182877 Provides a Chemical Rationalization of Its Structure and Affords Multigram Quantities of Its Direct Precursor, Christopher D. Vanderwal, David A. Vosburg, Sven Weiler, and Erik J. Sorensen
Structure and Specificity of the Vertebrate Anti-Mutator Uracil-DNA Glycosylase SMUG1, Jane E.A. Wibley, Timothy R. Waters, Karl A. Haushalter, Gregory L. Verdine, and Laurence H. Pearl
Submissions from 2002
Theoretical Investigation of the Ground and Excited States of Coumarin 151 and Coumarin 120, Robert J. Cave, Kieron Burke, and Edward W. Castner Jr.
Time-Dependent Density Functional Theory Investigation of the Ground and Excited States of Coumarins 102, 152, 153, and 343, Robert J. Cave and Edward W. Castner Jr.
Direct Visualization of a DNA Glycosylase Searching for Damage, Liwei Chen, Karl A. Haushalter, Charles M. Lieber, and Gregory L. Verdine
Article Are Hydrogen Bonds Unique among Weak Interactions in Their Ability to Mediate Electronic Coupling?, Emily Cukier '03, Sarah Daniels '02, Eric Vinson '01, and Robert J. Cave
Multistate Effects in Calculations of the Electronic Coupling Element for Electron Transfer Using the Generalized Mulliken−Hush Method, Michael Rust '01, Jason Lappe '00, and Robert J. Cave
An Integration of Chemistry, Biology, and Physics: The Interdisciplinary Laboratory, Gerald R. Van Hecke, Kerry K. Karukstis, Richard C. Haskell, Catherine S. McFadden, and F Sheldon Wettack
Submissions from 2001
Excision of Deaminated Cytosine from the Vertebrate Genome: Role of the SMUG1 uracil–DNA glycosylase, Hilde Nilsen, Karl A. Haushalter, Peter Robins, Deborah E. Barnes, Gregory L. Verdine, and Tomas Lindahl
Intramolecular Allenolate Acylations in Studies toward a Synthesis of FR182877, Christopher D. Vanderwal, David A. Vosburg, and Erik J. Sorensen
Submissions from 2000
Solvent as Electron Donor: Donor/Acceptor Electronic Coupling Is a Dynamical Variable, Edward W. Castner Jr., Darcy Kennedy '00, and Robert J. Cave
On the Vertical and Adiabatic Excitation Energies of the 21A(g), State of trans-1,3-butadiene, Jason Lappe '00 and Robert J. Cave
Intramolecular Hetero Diels–Alder Routes to γ-Carboline Alkaloids, Scott A. Snyder, David A. Vosburg, Matthew G. Jarvis, and J.Hodge Markgraf
Submissions from 1999
Identification of a New Uracil-DNA Glycosylase Family by Expression Cloning Using Synthetic Inhibitors, Karl A. Haushalter, P. Todd Stukenberg, Marc W. Kirschner, and Gregory L. Verdine
A Theoretical Study of the Electronic Coupling Element for Electron Transfer in Water, Newt E. Miller '99, Matthew C. Wander '97, and Robert J. Cave
Postulated Biogenesis of WS9885B and Progress toward an Enantioselective Synthesis, Christopher D. Vanderwal, David A. Vosburg, Sven Weiler, and Erik J. Sorensen
A Concise Synthesis of Fumagillol, David A. Vosburg, Sven Weiler, and Erik J. Sorensen
Submissions from 1998
An Ab Initio Study of Specific Solvent Effects on the Electronic Coupling Element in Electron Transfer Reactions, Thomas M. Henderson '98 and Robert J. Cave
An Ab Initio Study of the Mono- and Difluorides of Krypton, Gerald J. Hoffman, Laura A. Swafford '97, and Robert J. Cave
A Concise Route to Isocanthin-6-one, J.Hodge Markgraf, Scott A. Snyder, and David A. Vosburg
Submissions from 1997
Calculation of Electronic Coupling Matrix Elements for Ground and Excited State Electron Transfer Reactions: Comparison of the Generalized Mulliken–Hush and Block Diagonalization Methods, Robert J. Cave and Marshall D. Newton
A Harmonic Potential Function for Lithium Sodium DiFlouride, Richard J. Mawhorter, Robert J. Cave, C.R. Pulham, S. Biermann, and T. Törring
Submissions from 1996
Generalization of the Mulliken-Hush Treatment for the Calculation of Electron Transfer Matrix Elements, Robert J. Cave and Marshall D. Newton
An NMR Investigation of the Effect of Hydrogen Bonding on the Rates of Rotation about the C-N Bonds in Urea and Thiourea, Karl A. Haushalter, Janice Lau, and John D. Roberts
The Structure of Alkali Halide Dimers: A Critical Test of Ionic Models and New Ab Initio Results, T. Törring, S. Biermann, J. Hoeft, Richard J. Mawhorter, Robert J. Cave, and C. Szemenyei
Submissions from 1995
Theoretical Study of Solvent Effects on the Electronic Coupling Element in Rigidly Linked Donor-Acceptor Systems, Robert J. Cave, Marshall D. Newton, Krishna Kumar, and Matthew B. Zimmt
Submissions from 1994
Calculation of Electric Dipole Transition Moments Using Quasi-Degenerate Variational Perturbation Theory and Averaged Coupled-Pair Functional Theory, Robert J. Cave, Jenifer L. Johnson, and Mark A. Anderson
A Theoretical Investigation of the Stability of HPC, Hannah S. Hong and Robert J. Cave
Resonance Raman Investigation of the Radical Cation of 1,3,5-Hexatriene, Tamas Keszthelyi, Robert Wilbrandt, Robert J. Cave, and Jenifer L. Johnson
Submissions from 1993
A Theoretical Investigation of the Geometries, Vibrational Frequencies, and Binding Energies of Several Mixed Alkali Halide Dimers, Robert J. Cave and Ian Ono '94
A Theoretical Investigation of the Geometries, Vibrational Frequencies, and Binding Energies of Several Alkali Halide Dimers, Robert P. Dickey '93, David Maurice '91, Robert J. Cave, and Richard J. Mawhorter
Ab Initio Study of the Ground and Excited States of HCP and its Isomer HPC, Elisheva Goldstein, Suqian Jin, M. Robin Carrillo '92, and Robert J. Cave
Submissions from 1992
Optimization in Chemical Kinetics, Arthur T. Benjamin and Gordon J. Hogenson '92
A CASSCF Study of Various Rotamers of the Hexatriene Radical Cation, Robert J. Cave and Jenifer L. Johnson
A Theoretical Investigation of the Ground and Low‐Lying Excited States of Butadiene Radical Cation, Robert J. Cave and Michael G. Perrott '90
Exploiting Regularity in Systematic Sequences of Wavefunctions Which Approach the Full CI Limit, Robert J. Cave, Sotiris S. Xantheas, and David Feller
Submissions from 1991
Calculation of Excitation Energies Using Quasidegenerate Variational Perturbation Theory and Multireference-Averaged Coupled-Pair Functional Theory, Mark A. Anderson and Robert J. Cave
Submissions from 1990
Size‐Inconsistency Effects in Molecular Properties for States with Valence‐Rydberg Mixing: The Low‐Lying π→π∗ States of Ethylene and Butadiene, Robert J. Cave
Submissions from 1989
A Theoretical Study of Models for X2Y2 Zintl Ions, Robert J. Cave, Ernest R. Davidson, Philippe Sautet, Enric Canadell, and Odile Eisenstein
Submissions from 1988
Ab Initio Investigation of Several Low-lying States of All-trans Octatetraene, Robert J. Cave and Ernest R. Davidson
A Theoretical Investigation of Several Low-Lying States of trans, trans-1,3,5-hexatriene, Robert J. Cave and Ernest R. Davidson
Hylleraas Variational Perturbation Theory: Application to Correlation Problems in Molecular Systems, Robert J. Cave and Ernest R. Davidson
Non-vertical Excitation Energies for Low-lying Singlet States of Butadiene and Hexatriene, Robert J. Cave and Ernest R. Davidson
Quasidegenerate Variational Perturbation Theory and the Calculation of First‐Order Properties from Variational Perturbation Theory Wave Functions, Robert J. Cave and Ernest R. Davidson
An ab Initio Investigation of the Stabilization of Selected β-substituted Ethyl Cations and α-substituted Methyl Cations, Julia C. White, Robert J. Cave, and Ernest R. Davidson
Submissions from 1987
Theoretical Studies of Electron Transfer in Metal Dimers: XY+→X+Y, Where X, Y=Be, Mg, Ca, Zn, Cd, Robert J. Cave, David V. Baxter, William A. Goddard III, and John D. Baldeschwieler
A Theoretical Investigation of Some Low-lying Singlet States of 1,3-butadiene, Robert J. Cave and Ernest R. Davidson
Submissions from 1986
A Semiclassical Model for Orientation Effects in Electron Transfer Reactions, Robert J. Cave, Stephen J. Klippenstein, and R.A. Marcus
Mutual Orientation Effects on Electron-Transfer Reactions between Porphyrins, Robert J. Cave, Paul Siders, and R.A. Marcus
Chemical Applications of Scanning Tunneling Microscopy, Paul West, John Kramer, David V. Baxter, Robert J. Cave, and John D. Baldeschwieler
Submissions from 1984
Alkali Oxides. Analysis of Bonding and Explanation of the Reversal of Ordering of the 2Σ and 2Π States, Janet N. Allison, Robert J. Cave, and William A. Goddard III
A Model for Orientation Effects in Electron‐Transfer Reactions, Paul Siders, Robert J. Cave, and R.A. Marcus
Submissions from 1979
A Survey of Ligand Effects Upon the Reaction Entropies of Some Transition Metal Redox Couples, Edmund L. Yee, Robert J. Cave, Kendall L. Guyer, Paul D. Tyma, and Michael J. Weaver
