P. Rablen

发表

C−O and C−S Bonds: Stability, Bond Dissociation Energies, and Resonance Stabilization

K. Wiberg, C. Hadad, P. Rablen, 1998 .

N-Methylimidazole Promotes the Reaction of Homophthalic Anhydride with Imines

D. Floyd, T. Emge, S. Knapp, 2014, The Journal of organic chemistry.

Amides. 3. Experimental and Theoretical Studies of the Effect of the Medium on the Rotational Barriers for N,N-Dimethylformamide and N,N-Dimethylacetamide

Kenneth B. Wiberg, Todd A. Keith, Paul R. Rablen, 1995 .

Evaluation of 1,1-cyclopropylidene as a thioether isostere in the 4-thio-thienopyrimidine (TTP) series of antimalarials.

T. Emge, M. Falade, S. Knapp, 2020, Bioorganic & medicinal chemistry.

Large Effect on Borane Bond Dissociation Energies Resulting from Coordination by Lewis Bases

P. Rablen, 1997 .

Computational assessment of thioether isosteres.

S. Khare, Kristin M Blacklock, S. Knapp, 2018, Journal of molecular graphics & modelling.

Spontaneous transfer of chirality in an atropisomerically enriched two-axis system

Scott J. Miller, A. J. Metrano, P. Rablen, 2014, Nature.

OGA inhibition by GlcNAc-selenazoline.

S. Withers, J. Hanover, D. Love, 2010, Bioorganic & medicinal chemistry.

Synthesis and Characterization of (pyNO−)2GaCl: A Redox-Active Gallium Complex

C. Graves, P. Carroll, P. Rablen, 2018 .

Amide Neighbouring‐Group Effects in Peptides: Phenylalanine as Relay Amino Acid in Long‐Distance Electron Transfer

B. Giese, K. Fromm, L. Gamon, 2018, Chembiochem : a European journal of chemical biology.

Methoxymethane C-O Bond Strengths: Do Their Changes Result from Hyperconjugation or Polar Effects?

P. Rablen, K. B. Wiberg, 2018, The journal of physical chemistry. A.

Synthesis of Trialkylamines with Extreme Steric Hindrance and Their Decay by a Hofmann-like Elimination Reaction.

A. Ihle, P. Rablen, K. Banert, 2020, The Journal of organic chemistry.

Acid-catalyzed conversion of caryolan-1-ol to isoclovene: A computational investigation of the multi-step carbocation rearrangement

P. Rablen, 2018, Tetrahedron.

GlcNAc-Thiazoline conformations.

T. Emge, S. Knapp, P. Rablen, 2009, Bioorganic & medicinal chemistry.

Hydroheteroarylation of Unactivated Alkenes Using N-Methoxyheteroarenium Salts.

J. A. Rose, P. Rablen, S. Herzon, 2017, Journal of the American Chemical Society.

Are the enolates of amides and esters stabilized by electrostatics?

P. Rablen, K. Bentrup, 2003, Journal of the American Chemical Society.

Why Does Thioformamide Have a Larger Rotational Barrier Than Formamide

P. Rablen, K. B. Wiberg, 1995 .

Substituent effects. 5. Vinyl and ethynyl derivatives. An examination of the interaction of amino and hydroxy groups with carbon-carbon double and triple bonds

P. Rablen, K. B. Wiberg, 1993 .

Models of F.H contacts relevant to the binding of fluoroaromatic inhibitors to carbonic anhydrase II.

J. Doyon, A. Sapse, P. Rablen, 1999, Organic letters.

How the Arrangement of Alkyl Substituents Affects the Stability of Delocalized Carbocations.

P. Rablen, Nathalie A Perry-Freer, 2018, The Journal of organic chemistry.

Atomic Charges.

P. Rablen, K. B. Wiberg, 2018, The Journal of organic chemistry.

Substituent Effects. Part 7. Phenyl Derivatives. When Is a Fluorine a π-Donor?

P. Rablen, K. B. Wiberg, 1998 .

SUBSTITUENT EFFECTS. 7. PHENYL DERIVATIVES. WHEN IS A FLUORINE A PI -DONOR?

P. Rablen, K. B. Wiberg, 1998 .

Stereoelectronic Features of a Complex Ketene Dimerization Reaction

T. Emge, S. Knapp, Mark J. Dresel, 2021, Molecules.

Accurate Borane Sequential Bond Dissociation Energies by High-Level ab Initio Computational Methods

J. Hartwig, P. Rablen, 1996 .

Quantum-chemical simulation of 1H NMR spectra. 2. Comparison of DFT-based procedures for computing proton-proton coupling constants in organic molecules.

Paul R. Rablen, T. Bally, Thomas Bally, 2011, The Journal of organic chemistry.

Calculating accurate proton chemical shifts of organic molecules with density functional methods and modest basis sets.

Rupal Jain, T. Bally, Thomas Bally, 2009, The Journal of organic chemistry.

A Procedure for Computing Hydrocarbon Strain Energies Using Computational Group Equivalents, with Application to 66 Molecules †

P. Rablen, 2020, Chemistry.

Access to oxetane-containing psico-nucleosides from 2-methyleneoxetanes: a role for neighboring group participation?

Nathan E. Hnatiuk, Yanke Liang, G. Coates, 2011, The Journal of organic chemistry.

A reexamination of some carbocations. Structures, energies and charge distributions.

P. Rablen, K. B. Wiberg, 2020, The Journal of organic chemistry.

Butadiene. 2. Examination of the energetic preference for coplanarity of double bonds. Comparison of butadiene, acrolein, and vinylamine

R. E. Rosenberg, P. Rablen, K. B. Wiberg, 1991 .

N-Oxazolidinoyl Diene Iron(0) Tricarbonyl Complexes: Preparation by Diastereoselective Complexation and Synthetic Applications

R. Pike, P. Rablen, J. S. Murphy, 2022, Organometallics.

Butadiene. Part 2. Examination of the Energetic Preference for Coplanarity of Double Bonds. Comparison of Butadiene, Acrolein, and Vinylamine

R. E. Rosenberg, P. Rablen, K. B. Wiberg, 1991 .

Ab Initio Study Of Hydrogen-Bonded Complexes Of Small Organic Molecules With Water

William L. Jorgensen, Paul R. Rablen, W. L. Jorgensen, 1998 .

Solvent Effects on the Barrier to C−N Bond Rotation in N,N-Dimethylaminoacrylonitrile

J. A. Gorman, P. Rablen, D. Miller, 1999 .

Is hyperconjugation responsible for the “gauche effect” in 1-fluoropropane and other 2-substituted-1-fluoroethanes?†

R. W. Hoffmann, D. Hrovat, W. T. Borden, 1999 .

Resonance interactions in acyclic systems. 5. Structures, charge distributions, and energies of some heterobutadiene rotamers

M. Márquez, P. Rablen, K. B. Wiberg, 1992 .

Dichlorocarbene addition to cyclopropenes: a computational study.

P. Rablen, D. C. Merrer, 2005, The Journal of organic chemistry.

Ring Expansion of Alkylidenecarbenes Derived from Lactams, Lactones, and Thiolactones into Strained Heterocyclic Alkynes: A Theoretical Study

Nguyen Nhat Thu Le, P. Rablen, D. M. Thamattoor, 2019, Molecules.

Experimental and theoretical study of the 2-alkoxyethylidene rearrangement.

P. Rablen, D. M. Thamattoor, K. Graves, 2011, The Journal of organic chemistry.

How alkyl halide structure affects E2 and SN2 reaction barriers: E2 reactions are as sensitive as SN2 reactions.

P. Rablen, Brett D. McLarney, Jean E Schneider, 2014, The Journal of organic chemistry.

Diastereoselective spiroketalization: stereocontrol using an iron(0) tricarbonyl diene complex.

R. Pike, P. Rablen, James S. Jones, 2011, Organic Letters.

Is The Acetate Anion Stabilized By Resonance Or Electrostatics? A Systematic Structural Comparison

P. Rablen, 2000 .

Optimized end-stacking provides specificity of N-methyl mesoporphyrin IX for human telomeric G-quadruplex DNA.

P. Jeffrey, J. M. Nicoludis, Steven P. Barrett, 2012, Journal of the American Chemical Society.

Comparison of atomic charges derived via different procedures

Kenneth B. Wiberg, Paul R. Rablen, P. Rablen, 1993, J. Comput. Chem..

Solvent Effects On The Barrier To C-N Bond Rotation In N,N-Dimethylaminoacrylonitrile: Modeling By Reaction Field Theory And By Monte Carlo Simulations

Shoshannah A. Pearlman, P. Rablen, D. Miller, 1999 .

Synthesis and Characterization of a Tripodal Tris(nitroxide) Aluminum Complex and Its Catalytic Activity toward Carbonyl Hydroboration

C. Graves, P. Carroll, P. Rablen, 2019, Organometallics.

Substituent effects. 4. Nature of substituent effects at carbonyl groups

J. Cioslowski, C. Hadad, P. Rablen, 1992 .

Origin of the stability of carbon tetrafluoride: negative hyperconjugation reexamined

Kenneth B. Wiberg, Paul R. Rablen, P. Rablen, 1993 .

Concomitant Polymorphism in an Organic Solid: Molecular and Crystal Structure and Intramolecular and Intermolecular Potential Contributions to tert-Butyl and Methyl Group Rotation.

Jason R. Schmink, S. Szewczyk, A. Rheingold, 2019, Chemphyschem : a European journal of chemical physics and physical chemistry.

A Comparison Of Density Functional Methods For The Estimation Of Proton Chemical Shifts With Chemical Accuracy

Shoshannah A. Pearlman, Paul R. Rablen, P. Rablen, 1999 .

Rotamer-Restricted Fluorogenicity of the Bis-Arsenical ReAsH.

Allison S. Walker, A. Schepartz, P. Rablen, 2016, Journal of the American Chemical Society.

Increase in Strain Energy on Going from [4.4.4.5]Fenestrane to [4.4.4.4]Fenestrane A Method for Estimating the Heats of Formation of Hydrocarbons and their Derivatives from ab Initio Energies.

P. Rablen, K. B. Wiberg, 2020, The Journal of organic chemistry.

Internal hydrogen bonding in gaseous 3-aminoacrolein: an electron-diffraction investigation augmented by ab initio calculations of its molecular structure and conformational composition

P. Rablen, A. D. Richardson, K. Hedberg, 1998 .

Ni-Catalyzed Enantioselective Intramolecular Mizoroki-Heck Reaction for the Synthesis of Phenanthridinone Derivatives.

W. Malachowski, P. Rablen, Mary Sexton, 2023, The Journal of organic chemistry.

Importance of Polarization for Dipolar Solutes in Low-Dielectric Media: 1,2-Dichloroethane and Water in Cyclohexane

William L. Jorgensen, Paul R. Rablen, W. L. Jorgensen, 1995 .

First Transition Metal-Boryl Bond Energy and Quantitation of Large Differences in Sequential Bond Dissociation Energies of Boranes

S. Nolan, J. Hartwig, P. Rablen, 1994 .

A G4 approach to computing the Hammett substituent constants σ _p , σ _m , σ ^– , σ ⁺ , and σ ⁺ _m

P. Rablen, Ariana Yett, 2022, Journal of Physical Organic Chemistry.

Optimized end-stacking provides specificity of N-methyl mesoporphyrin IX for human telomeric G-quadruplex DNA.

P. Jeffrey, Steven P. Barrett, T. Lawton, 2012, Journal of the American Chemical Society.

Access to oxetane-containing psico-nucleosides from 2-methyleneoxetanes: a role for neighboring group participation?

Nathan E. Hnatiuk, Yanke Liang, G. Coates, 2011, The Journal of organic chemistry.

Butadiene and Heterodienes Revisited.

J. Baraban, P. Rablen, K. B. Wiberg, 2018, The Journal of organic chemistry.