Weston T. Borden
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American computational chemistry professor
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Weston T. Bordenchemistry Degrees
Chemistry
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#2134
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#542
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Computational Chemistry
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#25
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#4
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Chemistry
Weston T. Borden's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Weston T. Borden Influential?
(Suggest an Edit or Addition)According to Wikipedia, Weston Thatcher Borden is professor of Computational Chemistry and Welch Chair in Chemistry at the University of North Texas. He is also a member of the Center for Advanced Scientific Computing and Modeling . He was named for his famous mother, movie star Doris Weston, who died of lung cancer in 1960.
Weston T. Borden's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Effects of electron repulsion in conjugated hydrocarbon diradicals (1977) (435)
- Proton-coupled electron transfer versus hydrogen atom transfer in benzyl/toluene, methoxyl/methanol, and phenoxyl/phenol self-exchange reactions. (2002) (265)
- Symmetry breaking in polyatomic molecules: real and artifactual (1983) (228)
- Violations of Hund's Rule in Non-Kekule Hydrocarbons: Theoretical Prediction and Experimental Verification (1994) (184)
- The interplay of theory and experiment in the study of phenylnitrene. (2000) (160)
- Transition-State Spectroscopy of Cyclooctatetraene (1996) (158)
- Carbon Tunneling from a Single Quantum State (2003) (156)
- Synchronicity in Multibond Reactions (1988) (131)
- The Importance of Including Dynamic Electron Correlation in ab initio Calculations (1996) (122)
- Dioxygen: What Makes This Triplet Diradical Kinetically Persistent? (2017) (100)
- Ab Initio Study of the Ring Expansion of Phenylnitrene and Comparison with the Ring Expansion of Phenylcarbene (1997) (96)
- Theoretical studies of diradicals containing four .pi. electrons (1981) (94)
- The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals. (2011) (91)
- Ab Initio Calculations Show Why m-Phenylene Is Not Always a Ferromagnetic Coupler (1995) (85)
- The potential surfaces for the lowest singlet and triplet states of cyclobutadiene (2002) (83)
- MCSCF/CI investigation of the low-lying potential energy surfaces of the formyloxyl radical, HCO2.cntdot. (1983) (79)
- The Cope Rearrangement Revisited Again. Results of Ab Initio Calculations beyond the CASSCF Level (1994) (77)
- Experimental evidence for heavy-atom tunneling in the ring-opening of cyclopropylcarbinyl radical from intramolecular 12C/13C kinetic isotope effects. (2010) (73)
- Is hyperconjugation responsible for the “gauche effect” in 1-fluoropropane and other 2-substituted-1-fluoroethanes?† (1999) (73)
- Potential surfaces for the planar cyclopentadienyl radical and cation (1979) (71)
- Reactions that involve tunneling by carbon and the role that calculations have played in their study (2016) (71)
- MPW1K Performs Much Better than B3LYP in DFT Calculations on Reactions that Proceed by Proton-Coupled Electron Transfer (PCET). (2006) (70)
- Transition structures for the Claisen rearrangement (1988) (70)
- Carbene Rearrangements Unsurpassed: Details of the C(7)H(6) Potential Energy Surface Revealed. (1996) (67)
- CASSCF calculations find that a D8h geometry is the transition state for double bond shifting in cyclooctatetraene (1992) (65)
- The lowest singlet and triplet States of the oxyallyl diradical. (2009) (65)
- Ab initio calculations of the singlet-triplet energy difference in phenylnitrene (1992) (64)
- The iconoclastic dynamics of the 1,2,6-heptatriene rearrangement. (2002) (63)
- Nitroxyl radical plus hydroxylamine pseudo self-exchange reactions: tunneling in hydrogen atom transfer. (2009) (62)
- Transient Spectroscopy of a Derivative of 2,2-Difluoro-1,3-diphenylcyclopentane-1,3-diylA Persistent Localized Singlet 1,3-Diradical (1998) (60)
- Singlet-Triplet Energy Separations in Some Hydrocarbon Diradicals (1979) (59)
- Ab initio calculations predict a singlet ground state for tetramethyleneethane (1987) (59)
- Why Does o-Fluorine Substitution Raise the Barrier to Ring Expansion of Phenylnitrene? (1997) (59)
- Study of the chemistry of ortho- and para-biphenylnitrenes by laser flash photolysis and time-resolved IR experiments and by B3LYP and CASPT2 calculations. (2003) (58)
- Can a square or effectively square singlet be the ground state of cyclobutadiene (1975) (58)
- Slow hydrogen atom transfer reactions of oxo- and hydroxo-vanadium compounds: the importance of intrinsic barriers. (2009) (58)
- Some aspects of the potential surface for singlet trimethylenemethane (1977) (57)
- Effects of filled .pi. and unfilled .sigma. molecular orbital interactions on molecular structure (1977) (57)
- A Becke3LYP/6-31G* Study of the Cope Rearrangements of Substituted 1,5-Hexadienes Provides Computational Evidence for a Chameleonic Transition State (1999) (56)
- Calculations on Open‐Shell Molecules: A Beginner's Guide (2007) (55)
- A Computational Study of Reductive Elimination Reactions to Form C−H Bonds from Pt(II) and Pt(IV) Centers. Why Does Ligand Loss Precede Reductive Elimination from Six-Coordinate but Not Four-Coordinate Platinum? (2000) (54)
- Ab initio study of m-benzoquinodimethane (1983) (54)
- Cooperative and Competitive Substituent Effects on the Cope Rearrangements of Phenyl-Substituted 1,5-Hexadienes Elucidated by Becke3LYP/6-31G* Calculations (2000) (54)
- Effects of spiroconjugation on the calculated singlet-triplet energy gap in 2,2-dialkoxycyclopentane-1,3-diyls and on the experimental electronic absorption spectra of singlet 1,3-diphenyl derivatives. Assignment of the lowest-energy electronic transition of singlet cyclopentane-1,3-diyls. (2004) (54)
- Calculations predict rapid tunneling by carbon from the vibrational ground state in the ring opening of cyclopropylcarbinyl radical at cryogenic temperatures. (2008) (52)
- Why Are Methylenecyclopropane and 1-Methylcylopropene More “Strained” than Methylcyclopropane? (1997) (51)
- Qualitative Methods for Predicting the Ground States of Non-Kekule Hydrocarbons and the Effects of Heteroatom Substitution on the Ordering of the Electronic States (1993) (50)
- Calculations predict that carbon tunneling allows the degenerate cope rearrangement of semibullvalene to occur rapidly at cryogenic temperatures. (2010) (50)
- A Computational Study of the Interactions among the Nitro Groups in Octanitrocubane (2001) (50)
- Oxidation of tertiary silanes by osmium tetroxide. (2007) (49)
- Peracid oxidation of aliphatic amines: general synthesis of nitroalkanes (1979) (48)
- Ab initio calculations of the olefin strain energies of some pyramidalized alkenes (1988) (47)
- Ab initio MCSCF and CI calculations of the singlet-triplet energy differences in oxyallyl and in dimethyloxyallyl (1990) (47)
- Ab initio calculations on (H3P)2Pt(C2H4). The effect of alkene pyramidalization on internal rotation and alkene binding energies (1991) (46)
- Ab initio calculations on m-quinone. The ground state is a triplet (1992) (45)
- Ab initio calculations of the effects of substituents on the stabilization of silyl radicals versus methyl radicals (1988) (45)
- The potential surface for planar cyclopropenyl radical and anion (1977) (45)
- Stereomutation of cyclopropane revisited. An ab initio investigation of the potential surface and calculation of secondary isotope effects (1992) (44)
- RHF and two-configuration SCF calculations are inappropriate for conjugated diradicals (1982) (44)
- Investigation of Cyclopropane Stereomutation by Quasiclassical Trajectories on an Analytical Potential Energy Surface (1997) (44)
- Structure and stability of oxyallyl. An MCSCF study (1984) (44)
- Modern molecular orbital theory for organic chemists (1975) (44)
- Effects of electron donation into C–F σ* orbitals: explanations, predictions and experimental tests (1998) (44)
- PROTON AFFINITIES OF FREE RADICALS MEASURED BY THE KINETIC METHOD (1994) (43)
- A theoretical study of the acetaldehyde-derived radical (1982) (43)
- Allylic resonance - when is it unimportant? (1984) (42)
- Heavy-atom tunneling in the ring opening of a strained cyclopropene at very low temperatures. (2014) (42)
- Potential surface for the methylenecyclopropane rearrangement (1982) (42)
- Mechanism of hydride attack in the reduction of trans-1-tert-butyl-3-phenylallyl and 1-tert-butyl-3-phenylpropargyl alcohols (1970) (42)
- Why is the .pi. bond in tetrafluoroethylene weaker than that in ethylene? An ab initio investigation (1989) (41)
- Why Are Nitrenes More Stable than Carbenes? An Ab Initio Study (1998) (41)
- Calculations on tunneling in the reactions of noradamantyl carbenes. (2013) (40)
- Ab initio calculation of the transition state for the Cope rearrangement (1984) (40)
- Ab initio calculations on the ring opening of cyclopropane radical cation. Trimethylene radical cation is not a stable intermediate (1988) (40)
- Chemical consequences of orbital interactions in hydrocarbons containing unsaturativety bridged small rings (1973) (39)
- Effect of carbon atom pyramidalization on the bonding in ethylene (1979) (39)
- Ab initio calculations of the relative strengths of the .pi. bonds in acetylene and ethylene and of their effect on the relative energies of .pi.-bond addition reactions (1991) (39)
- Photoelectron spectroscopic study of the oxyallyl diradical. (2011) (39)
- Tunneling in the 1,5-hydrogen shift reactions of 1,3-cyclopentadiene and 5-methyl-1,3-cyclopentadiene. (2007) (39)
- Dependence of the singlet-triplet splitting in heterosubstituted carbenes on the heteroatom electronegativity and conformation (1980) (38)
- The singlet and triplet state rotational potential surfaces for dihydroxycarbene (1979) (38)
- Molecular orbitals of the oxocarbons (CO)n, n = 2-6. Why does (CO)4 have a triplet ground state? (2012) (37)
- Factors controlling the barriers to degenerate hydrogen atom transfers. (2005) (37)
- CI calculations on didehydrobenzenes predict heats of formation for the meta and para isomers that are substantially higher than previous experimental values (1993) (37)
- CASSCF and CASPT2 ab initio electronic structure calculations find singlet methylnitrene is an energy minimum (2000) (36)
- Chair and boat transition states for the Cope rearrangement. A CASSCF study (1988) (36)
- Computational Study of Reductive Elimination Reactions to Form C−H Bonds from Platinum(II) and Platinum(IV) Centers with Strongly Coordinating Trimethylphosphine Ligands (2001) (36)
- Spectroscopic Characterization, Computational Investigation, and Comparisons of ECX- (E = As, P, and N; X = S and O) Anions. (2017) (36)
- A theoretical determination of the electron affinity of methylene (1982) (36)
- Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls: A Combined ab Initio and Monte Carlo Study (1994) (35)
- Dynamics of 1,2-Hydrogen Migration in Carbenes and Ring Expansion in Cyclopropylcarbenes (2002) (35)
- The potential surface for the cyclobutadiene radical cation (1981) (35)
- AB INITIO AND DFT CALCULATIONS ON THE COPE REARRANGEMENT OF 1,2,6-HEPTATRIENE (1999) (35)
- Ab Initio Calculations of the Relative Resonance Stabilization Energies of Allyl and Benzyl Radicals (1994) (34)
- Ab initio calculations on the stereomutation of 1,1-difluorocyclopropane. Prediction of a substantial preference for coupled disrotation of the methylene groups (1994) (32)
- The Cope Rearrangement of 1,5-Dimethylsemibullvalene-2(4)-d1 : Experimental Evidence for Heavy-Atom Tunneling. (2017) (30)
- 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. (2005) (30)
- 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 blue bishomoaromatic semibullvalene. (2002) (30)
- Calculation of zero field splitting parameters for trimethylenemethane (1981) (29)
- Ring-Expansion Reaction of Cyano-Substituted Singlet Phenyl Nitrenes: Theoretical Predictions and Kinetic Results from Laser Flash Photolysis and Chemical Trapping Experiments (2001) (29)
- Ab initio calculations on borylphosphines: prediction of a synergistic substituent effect in diborylphosphine (1990) (28)
- Ab Initio Calculations of the Potential Surfaces for the Lowest Singlet and Triplet States of 2,2-Difluorocyclopentane-1,3-diyl. The singlet Diradical Lies Below the Triplet (1994) (28)
- How important is bishomoaromatic stabilization in determining the relative barrier heights for the degenerate Cope rearrangements of semibullvalene, barbaralane, bullvalene, and dihydrobullvalene? (2005) (27)
- Ab initio calculations find that formation of cubyl cation requires less energy than formation of 1-norbornyl cation (1990) (26)
- Ligand-assisted reduction of osmium tetroxide with molecular hydrogen via a [3+2] mechanism. (2005) (26)
- DFT calculations on the effects of para substituents on the energy differences between singlet and triplet states of 2,2-difluoro-1,3-diphenylcyclopentane-1,3-diyls. (2003) (26)
- The effects of heteroatom substitution on the singlet–triplet energy differences in diradicals—ab initio calculations of ΔEST in meta-benzoquinomethane and in 1,3-naphthoquinomethane (1998) (25)
- Calculations predict a large inverse H/D kinetic isotope effect on the rate of tunneling in the ring opening of cyclopropylcarbinyl radical. (2009) (25)
- Matrix Isolation of Perfluorinated p-Benzyne. (2001) (25)
- Synthesis of tricyclo[3.3.1.03,7]non-3(7)-ene, a highly pyramidalized olefin (1986) (25)
- Reinvestigation of the ordering of the low-lying electronic states of cyclobutanetetraone with CASPT2, CCSD(T), G3B3, ccCA, and CBS-QB3 calculations (2009) (25)
- Synthesis of homocub-4(5)-ene: confirmation of a computational prediction (1988) (24)
- The potential surface for 1,3-dimethylenecyclobutadiene (1978) (24)
- Ab initio calculations on 1,2,4,5-tetramethylenebenzene at geometries optimized by .pi.-CI calculations. Prediction of a singlet ground state for a disjoint diradical (1986) (23)
- A perimidine-derived non-Kekulé triplet diradical. (2008) (23)
- How to make the σ0π2 singlet the ground state of carbenes. (2013) (23)
- Why does tetrafluoroethylene not undergo Diels-Alder reaction with 1,3-butadiene? An ab initio investigation (1991) (23)
- Ab Initio Calculations of the Effects of Geminal Silyl Substituents on the Stereomutation of Cyclopropane and on the Singlet−Triplet Splitting in Trimethylene (1998) (23)
- Synchronized aromaticity as an enthalpic driving force for the aromatic Cope rearrangement. (2012) (23)
- Configuration interaction calculations for 1E′ trimethylenemethane (1976) (22)
- Electron repulsion pericyclic transition states (1973) (22)
- Violations of Hund's rule in molecules — where to look for them and how to identify them (1997) (22)
- Synthesis of Alkenes with Pyramidalized Double Bonds - Unnatural Products of Theoretical Interest (1996) (22)
- Synthesis and Study of the (Ph3P)2Pt Complexes of Three Members of a Series of Highly Pyramidalized Alkenes (1995) (21)
- The negative ion photoelectron spectrum of meta-benzoquinone radical anion (MBQ˙⁻): a joint experimental and computational study. (2014) (21)
- Negative ion photoelectron spectroscopy confirms the prediction that (CO)5 and (CO)6 each has a singlet ground state. (2013) (21)
- Transannular ring closure by reduction of cyclooctane-1,5-diones. Synthesis of a bisnoradamantan-1-o1 (1971) (21)
- Formation of Ground State Triplet Diradicals from Annulated Rosarin Derivatives by Triprotonation. (2015) (21)
- AB INITIO CALCULATIONS ON 1,3,5-TRIMETHYLENEBENZENE AND ITS NEGATIVE ION PROVIDE PREDICTIONS ABOUT THE PHOTOELECTRON SPECTRUM OF THE ION (1997) (20)
- A configuration interaction treatment of 1E' trimethylenemethane (1976) (20)
- Ab initio calculations of the relative energies of 1,2-, 1,3-, and 1,4-dehydrocubane: prediction of dominant through-bond interaction in 1,4-dehydrocubane (1990) (20)
- Lowest singlet state of planar trimethylenemethane (1975) (20)
- Stereochemistry of the thermal and photochemical rearrangement of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene to 8,8-dimethylbicyclo[5.1.0]octa-2,4-diene (1980) (20)
- Trapping of tricyclo[3.3.1.03.7]non-3(7)-ene with (Ph3P)2Pt. Structure of the (Ph3P)2Pt complex of a highly pyramidalized alkene (1990) (20)
- Synthesis and spectroscopy of tricyclo[3.3.3.03,7]undec-3(7)-ene: confirmation of computational predictions regarding the effects of pyramidalization on alkene ionization energies and electron affinities (1993) (19)
- Regarding the mechanism of carbon-hydrogen bond acidification by sulfur (1978) (19)
- Stoichiometric oxidations of σ-bonds : Radical and possible non-radical pathways (2006) (19)
- Potential surfaces for (NH)32+ [triaziridenyl dication] (1980) (19)
- Experimental Study of the Stereomutation of 1,1-Difluoro-2-ethyl-3-methylcyclopropane Confirms the Predicted Preference for Disrotatory Ring Opening and Closure (1998) (19)
- Effect of through-bond interaction on terminal methylene rotation in the tetramethylene diradical (1980) (19)
- Oxidation of 7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-ol. Convenient synthesis of bicyclo[3.3.1]nonane-3,7-dione (1980) (19)
- Are 1,5-disubstituted semibullvalenes that have C2v equilibrium geometries necessarily bishomoaromatic? (2002) (19)
- Why is tetra-tert-butylcyclobutadiene almost square? (1980) (19)
- Calculations find that tunneling plays a major role in the reductive elimination of methane from hydridomethylbis(trimethylphosphine)platinum: how to confirm this computational prediction experimentally. (2008) (18)
- Electronic Structure and Isomerism in Allene (1966) (18)
- Ab initio calculation of the effects of cyano substituents on the Cope rearrangement (1990) (18)
- Potential surfaces for cyclopropane stereomutations: what a difference geminal fluorines make (1994) (18)
- Ab initio calculations of the singlet-triplet energy separation in 3,4-dimethylenefuran and related diradicals (1986) (18)
- Bond alternation and unpaired spin distributions in the radical anions of cyclooctatetraene and monosubstituted derivatives. An ab initio study (1991) (18)
- Isotope-Controlled Selectivity by Quantum Tunneling: Hydrogen Migration versus Ring Expansion in Cyclopropylmethylcarbenes. (2017) (18)
- A B3LYP study of the effects of phenyl substituents on 1,5-hydrogen shifts in 3-(Z)-1,3-pentadiene provides evidence against a chameleonic transition structure. (2004) (17)
- MCSCF and CASPT2N Calculations on the Excited States of 1,2,4,5-Tetramethylenebenzene. The UV-Vis Spectrum Observed Belongs to the Singlet State of the Diradical (1994) (17)
- Synthesis and thermal reorganization of 1,2,5,6-tetramethyl-3,4,7,8-tetramethylenecyclooctadiene (1971) (17)
- Transannular photochemical ring closure of 1,2,5,6-tetramethylenecyclooctane as a synthetic route to small-ring propellanes (1975) (16)
- Computational Study of Isomerization Reactions of Silacyclopropene (1999) (16)
- Isotope Effects on the Ring Inversion of Cyclooctatetraene (1998) (16)
- The negative ion photoelectron spectrum of cyclopropane-1,2,3-trione radical anion, (CO)3(•-)--a joint experimental and computational study. (2014) (16)
- The stereochemistry of hydride attack in the reduction of 1-tert-butyl-3-phenylallyl alcohol (1968) (15)
- Generation and chemical trapping of a bis(ethano) derivative of tricyclo[3.3.0.03,7]oct-1(5)-ene. The consummate member of a series of pyramidalized alkenes (1992) (15)
- Calculations of the Equilibrium Isotope Effects on the Reductions of Benzene-d6 and Cyclooctatetraene-d8 (1997) (15)
- Synthesis of 10-selenatricyclo[3.3.3.03,7]undec-3(7)-ene. X-ray structure of an alkene containing a pyramidalized double bond (1987) (15)
- AB INITIO CALCULATIONS ON THE PREFERRED MODE OF RING OPENING IN SILACYCLOPROPANE (1997) (15)
- Synthesis, trapping, and dimerization of 9,10-benzotricyclo[3.3.2.03,7]deca-3(7),9(10)-diene. X-ray crystal structure of the dimer (1977) (15)
- A doubly pyramidalized olefin. Matrix isolation spectroscopy of tricyclo[3.3.2.03,7]dec-3(7)-ene (1986) (15)
- Attempts to model neutral solitons in polyacetylene by ab initio and density functional methods. The nature of the spin distribution in polyenyl radicals (2000) (15)
- Synthesis and dimerization of tricyclo[3.3.3.02,6]undec-2(6)-ene. X-ray structure of the dimer as evidence for a concerted ene reaction in dimer formation (1977) (14)
- Ab initio calculations of the potential surface for rearrangement of 2,2,3,3-tetrafluoromethylenecyclopropane to 1-(difluoromethylene)-2,2-difluorocyclopropane. (2006) (14)
- When is allylic resonance unimportant (1983) (14)
- CASSCF and CASPT2N Calculations Predict Singlet Cyclopentan-2-one-1,3-diyl is Stable toward Closure to Bicyclo[2.1.0]pentan-5-one (1995) (14)
- Ab initio calculations of the ring opening of methylenecyclopropane radical cation to trimethylenemethane radical cation (1987) (14)
- Has the trimethylene radical cation been observed?: An Ab initio molecular orbital study (1986) (14)
- Computational studies of the thermal fragmentation of P-arylphosphiranes: have arylphosphinidenes been generated by this method? (2005) (14)
- Synthesis of 7-carboxytricyclo[3.3.1.03,7]nonan-3-ol (1983) (14)
- CASSCF and CASPT2 calculations on the cleavage and ring inversion of bicyclo[2.2.0]hexane find that these reactions involve formation of a common twist-boat diradical intermediate. (2001) (14)
- Effect of Olefin Pyramidalization on the Proton Affinity of Tricyclo[3.3.3.03,7]undec-3(7)-ene as Determined by ab Initio Calculations and Kinetic Method Measurements (1996) (13)
- Ab Initio CI Calculations of the Energy Difference between Trimethylenemethane and Butadiene (1983) (13)
- With a little help from my friends: forty years of fruitful chemical collaborations. (2011) (13)
- Cycloaddition of N-phenyltriazolinedione to octamethylsemibullvalene and relative ease of nitrogen extrusion from the derived azo adducts (1975) (13)
- Ab Initio calculations of the potential surfaces for rearrangement of methylenecyclopropane and 2,2-difluoromethylenecyclopropane. Why do the geminal fluorines have little effect on lowering the activation energy?† (1999) (13)
- Photoelectron spectra of the 1,2,5,6-tetramethyl-3,4,7,8-tetramethylene derivatives of tricyclo[3.3.0.02,6]octane and tricyclo[4.2.0.02,5]octane (1979) (13)
- What accounts for the difference between singlet phenylphosphinidene and singlet phenylnitrene in reactivity toward ring expansion? (2002) (12)
- The contributions of through-bond interactions to the singlet-triplet energy difference in 1,3-dehydrobenzene. (2009) (12)
- Stereochemistry of electrophilic attack in the base-catalyzed cleavage of 3,7-dimethyl-tricyclo[3.3.0.03,7]octan-1-ol (1971) (12)
- Ab initio calculations of the relative energies of homocub-1(9)-ene and homocub-9-ylidene. How strong is the twisted ".pi." bond in the olefin? What is the ground state of the carbene? (1992) (12)
- Why does perfluorination render bicyclo[2.2.0]hex-1(4)-ene stable toward dimerization? Calculations provide the answers. (2006) (12)
- Ab initio calculations of the singlet-triplet energy differences in planar 2,4-dimethylenecyclobutane-1,3-diyl and in mono- and dioxo derivatives (1989) (11)
- THEORETICAL STUDY OF CONCERTED VS. STEPWISE FRAGMENTATION OF 2-CARBENA-1,3-DIOXOLANE (1981) (11)
- Matrix isolation of tricyclo[3.3.1.03,7]non-3(7)-ene, a doubly pyramidazlized alkene predicted to have a nearly tetrahedral geometry at the olefinic carbons (1993) (11)
- Ab Initio and Density Functional Theory Calculations on Heteroatom Analogues of Trimethylenemethane Radical Ions. Can a Quartet Be the Ground State (2002) (11)
- Mechanism of rearrangement of molecules containing cyclobutane rings 1,3 bridged by ethylene (1972) (11)
- Like (CO)4, Do (CS)4 and (CSe)4 have a triplet ground state? (2013) (11)
- Ring Opening of Bicyclo[n.1.0]alkanones to 2-Cycloalkanone-1,3-diyls. Why Does Oxyallyl Diradical Formation Require Less Energy from Bicyclo[3.1.0]hexan-6-ones than from Bicyclo[1.1.0]butan-2-ones? (1996) (11)
- Effects of geminal methyl groups on the tunnelling rates in the ring opening of cyclopropylcarbinyl radical at cryogenic temperature. (2011) (11)
- Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex. (2006) (11)
- Ab initio calculations of the barriers to rotation in 1,1-difluoroallyl radical and an analysis of the factors that govern rotational barriers in fluorinated allylic radicals (1992) (11)
- B3LYP calculations on bishomoaromaticity in substituted semibullvalenes* (2001) (11)
- A new synthesis of bicyclo [4.1.1] octa-2,4-diene and its cycloaddition reactions with dienophiles (1985) (10)
- Diradicals – A Fifty Year Fascination (2015) (10)
- What Accounts for the Remarkable Difference between Silabenzene and Phosphabenzene in Stability toward Dimerization (2000) (10)
- Calculations of the effect of tunneling on the Swain-Schaad exponents (SSEs) for the 1,5-hydrogen shift in 5-methyl-1,3-cyclopentadiene. Can SSEs be used to diagnose the occurrence of tunneling? (2007) (10)
- Ab initio calculations of the barrier to CF2 rotation in 1,1,3,3-tetrafluoropropenyl radical (1990) (10)
- The Study of Nitrenes by Theoretical Methods (2005) (10)
- Why is (SiO)(4) calculated to be tetrahedral, whereas (CO)(4) is square planar? A molecular orbital analysis. (2013) (10)
- Ab initio calculations on silicon analogs of the allyl radical (1992) (10)
- Why are .pi. bonds to phosphorus more stable toward addition reactions than .pi. bonds to silicon (1987) (10)
- Variations in Rotational Barriers of Allyl and Benzyl Cations, Anions, and Radicals. (2016) (10)
- Ultraviolet Photoelectron Spectroscopy of Some C7H7- Isomers: Quadricyclanide, Norbornadienide, Cycloheptatrienide, and 1,6-Heptadiynide (1996) (9)
- Very-low-lying electronic states result from n --> pi excitations in open-shell annulenes, annelated with alpha-dicarbonyl groups. (2008) (9)
- Why Are Addition Reactions to N2 Thermodynamically Unfavorable? (2017) (9)
- A Simple Mathematical Model for the Cooperative and Competitive Substituent Effects Found in the Cope Rearrangements of Phenyl-Substituted 1,5-Hexadienes. (2005) (9)
- Computational and ¹³C investigations of the diazadienes and oxazadienes formed via the rearrangement of methylenecyclopropyl hydrazones and oximes. (2014) (9)
- Triphenylcyclopropenide Anion in the Gas Phase (1986) (9)
- Identification of surface active agents in admixture by thin layer chromatography (1964) (9)
- A synthesis of optically active 1, 3-DI--butylallene from propargylic derivatives by hydride displacement (1969) (9)
- Ab initio calculations of the stabilization energy of pentadienyl radical from rotational barriers and from lowering of bond dissociation energies (1993) (8)
- AB INITIO CALCULATIONS ON THE DIPHOSPHINE RADICAL CATION (P2H4+.CNTDOT.) (1985) (8)
- CASSCF Calculations Find That a D8h Geometry Is the Transition State for Double‐Bond Shifting in Cyclooctatetraene. (1992) (8)
- Ab initio calculations of the relative energies of triplet 2,4-dimethylenecyclobutane-1,3-diyl and singlet 2,4-dimethylenebicyclo[1.1.0]butane (1982) (8)
- Negative Ion Photoelectron Spectroscopy Confirms the Prediction that 1,2,4,5-Tetraoxatetramethylenebenzene Has a Singlet Ground State. (2015) (8)
- AB INITIO CALCULATIONS INDICATE THAT A POLAR EFFECT CAUSES ABSTRACTION OF CUBYL HYDROGENS FROM METHYLCUBANE TO BE FAVORED KINETICALLY (1994) (8)
- The origin of Felkin–Anh control from an electropositive substituentadjacent to the carbonyl group (2001) (8)
- Heat of hydrogenation of 1,5-dehydroquadricyclane. A computational and experimental study of a highly pyramidalized alkene. (2005) (8)
- Through-bond interactions in the diradical intermediates formed in the rearrangements of bicyclo[n.m.0]alkatetraenes. (2010) (8)
- Photoelectron spectroscopy and theoretical studies of PCSe-, AsCS-, AsCSe-, and NCSe-: Insights into the electronic structures of the whole family of ECX- anions. (2019) (8)
- Evidence for rapid pseudorotation in triphenylcyclopropenyl anion (1983) (8)
- Pyrolysis of the carbonate tosylhydrazone salts derived from erythro- and threo-4-methylpentane-2,3-diol (1978) (7)
- Thermal reorganization of two pyramidalized alkenes by reverse vinylcyclopropane rearrangements (1987) (7)
- Synthesis of tricyclo[3.3.3.02,6]undec-2(6)-ene. A novel bridgehead olefin (1976) (7)
- Stereochemistry of electrophilic attack on the putative carbanion intermediate in the base-catalyzed ketonization of 3,7-dimethyltricyclo[3.3.0.03,7]octan-1-ol. Evidence against an SE1 mechanism for ketonization (1979) (7)
- Ab initio calculation of the zero-field splitting parameters of vinylmethylene (1983) (7)
- Singlet and triplet excited states of a pyramidalized alkene: Electron-energy-loss spectra, photoelectron spectra, and calculations of the excited states of tricyclo[3.3.3.03,7]undec-3(7)-ene (1997) (7)
- A Novel Synthesis of β‐Lactone Precursors of Pyramidalized Alkenes. (1986) (7)
- The "bond-stretched invertomer" of hexafluorocyclopropane--a new type of reactive intermediate. (2007) (7)
- The ground state of (CS)4 is different from that of (CO)4: an experimental test of a computational prediction by negative ion photoelectron spectroscopy. (2013) (7)
- Reactions of sterically congested 1,5-hexadienes: Ab initio and DFT calculations on the competition between cope rearrangements and disrotatory cyclobutene ring-opening reactions of bridged syn-tricyclo[4.2.0.0(2,5)]octa-3,7-dienes. (2004) (7)
- The electronic nature of trimethylenemethane (1967) (7)
- Orbital interactions in molecules containing unsaturatively bridged cyclobutane and bicyclobutane rings (1975) (6)
- Calculations of the effects of substituents on bond localization in annelated cyclopentadienyl radicals. (2007) (6)
- Stereochemistry of the base catalyzed ketonization of th birdcage alcohol (1976) (6)
- Ab initio calculations find 2,2-disilylcyclopentane-1,3-diyl is a singlet diradical with a high barrier to ring closure (1999) (6)
- A serendipitous synthesis of 1,2,5,6-tetramethyl-3,4,7,8-tetramethylenetricyclo[3.3.0.02,6]octane (1978) (6)
- Ab Initio Calculations on the .beta.-Cleavage Reactions of Polycyclic Radicals. Why Does Cubylcarbinyl React Much Faster than Either Homocubyl or 1-Bicyclo[1.1.1]pentyl? (1995) (6)
- Ab initio investigation of substituent effects in 4-substituted bicyclo[2.2.2]oct-1-yl cations. Computational support for through-bond stabilization via double hyperconjugation (1992) (6)
- Flow system pyrolysis of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene (1980) (6)
- Current applications of computational chemistry in JACS--molecules, mechanisms, and materials. (2011) (6)
- Cyclooctatetraenes tetrakis-annelated with alpha-dithio- or alpha-diselenocarbonyl groups: diradicals predicted to have ground states with 10 pi electrons in the eight-membered ring and two-center, three-electron, sigma bonds between two pairs of chalcogen atoms. (2010) (5)
- VIOLATIONS OF HUND'S RULE IN ORGANIC DIRADICALS – WHERE TO LOOK FOR VIOLATIONS AND HOW TO IDENTIFY THEM (1997) (5)
- Cooperative Effects in the Annelation of Benzene by Multiple Etheno Groups (2011) (5)
- Symmetry breaking, diradicals, and Coping with and Coping without Ernest Davidson (2002) (5)
- Attempted preparation of 5,5-difluoro-1,4-diphenylbicyclo[2.1.0]pentane -- serendipitous synthesis of 1,3-difluoro-2,4-diphenylbenzene (1994) (5)
- Some aspects of the triplet di-.pi.-methane rearrangement: comparison of the ring opening of cyclopropyldicarbinyl and cyclopropylcarbinyl (1985) (5)
- Differences in expected stability of the triplet state in cyclic π-systems containing 4n electrons (1969) (5)
- An experimental and computational study of the ions formed by the reaction of cyclopentanone with O (2005) (5)
- Do deviations from bond enthalpy additivity define the thermodynamic stabilities of diradicals? (2002) (5)
- Does Formation of Singlet Propane-1,3-diyl from Propane Deviate from Bond Enthalpy Additivity? Results of Ab Initio Calculations That Bear on the Existence of the Benson Barrier to Diradical Ring Closure† (2004) (5)
- A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-triazolate Anion, HCPN3(.). (2016) (5)
- Kinetics of the thermal isomerization of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene and 8,8-dimethylbicyclo[5.1.0]octa-2,4-diene. Evidence for a nonconcerted 1,5-carbon sigmatropic shift (1986) (5)
- Cooperative and competitive effects of substituents at C1 and C4 on the barriers to ring inversion of 5,5-difluorobicyclo[2.1.0]pentanes. (2006) (5)
- THEORETICAL STUDIES OF DIRADICALS CONTAINING FOUR Π ELECTRONS (1981) (4)
- Negative Ion Photoelectron Spectroscopy Confirms the Prediction of a Singlet Ground State for the 1,8-Naphthoquinone Diradical. (2019) (4)
- Pyrolysis and photolysis of 6,7-diazatricyclo[3.2.2.12,4]dec-6-ene (1986) (4)
- Cooperative and competitive effects associated with Fe(CO)3 binding to annelated benzenes (2013) (4)
- A four step synthesis from α-pinene of 7,7-dimethylbicyclo[4.1.1]octa-2,4-diene (1976) (4)
- Evidence for Rapid Pseudorotation in Triphenylcyclopropenyl Anion. (1984) (4)
- SOME ASPECTS OF THE TRIPLET DI-Π-METHANE REARRANGEMENT: COMPARISON OF THE RING OPENING OF CYCLOPROPYLDICARBINYL AND CYCLOPROPYLCARBINYL (1985) (4)
- Negative ion photoelectron spectroscopy con fi rms the prediction that D 3h carbon trioxide (CO 3 ) has a singlet ground state † (2016) (4)
- Negative Ion Photoelectron Spectroscopy Confirms the Prediction of the Relative Energies of the Low-Lying Electronic States of 2,7-Naphthoquinone. (2018) (4)
- Ab Initio Calculations on Spiropentane Stereomutations Lead to a Reinterpretation of the Experimental Results (1999) (4)
- Cycloaddition reactions of 1,2,5,6-tetramethyl-3,4,7,8-tetramethylenetricyclo[3.3.0.02,6]octane. Evidence for chemical consequences of orbital interactions in molecules containing unsaturatively 1,3-bridged cyclobutane rings (1978) (3)
- Theoretical Analysis of the Fragmentation of (CO)5: A Symmetry-Allowed Highly Exothermic Reaction that Follows a Stepwise Pathway. (2015) (3)
- Calculations of the relative energies of the low-lying electronic states of 2-methylenedihydrophenalene-1,3-diyl: effects of a 1,8-naphtho bridging group on trimethylenemethane and of a vinylidene bridging group on 1,8-naphthoquinodimethane. (2009) (3)
- Solvent Effects on the Ring Opening of Cyclopropanones to Oxyallyls: A Combined ab initio and Monte Carlo Study. (1994) (3)
- Synthesis and pyrolysis of carbonate tosylhydrazone salts derived from vicinal glycols (1973) (3)
- A reinvestigation of the fragmentation of 2-carbena-1,3-dioxolane by CASSCF and CASPT2 calculations (2004) (3)
- Carbene Rearrangements Unsurpassed: Details of the C7H6 Potential Energy Surface Revealed. (1997) (3)
- Photoelectron Spectroscopy and Theoretical Studies of PCSe − , AsCS − , AsCSe − , and NCSe − : Insights into the Electronic Structures of the Whole Family of ECX − Anions (E=N, P, As; X=O, S, Se) (2019) (3)
- Transannular photochemical ring closure in 1,2,5,6-tetramethylenecyclooctane. Novel synthesis of [3.3.2]propellane (1970) (3)
- NMR and molecular mechanics studies of the conformational dynamics of tricyclo[3.3.3.03,7]undecane derivatives (1993) (3)
- The effects of orbital interactions on the geometries of some annelated benzenes (2011) (3)
- Calculations of the effects of methyl groups on the energy differences between cyclooctatetraene and bicyclo[4.2.0]octa-2,4,7-triene and between their iron tricarbonyl complexes. (2012) (3)
- Effects of Electron Donation into C—F σ* Orbitals: Explanations, Predictions and Experimental Tests (2010) (2)
- The Cope rearrangement revisited again. Results of ab initio calculations beyond the CASSCF level. [Erratum to document cited in CA120:106195] (1994) (2)
- Calculations of the energies of the low‐lying electronic states of dioxatrimethylenemethane (H2CCO2) and prediction of the negative ion photoelectron (NIPE) spectrum of its radical anion (2017) (2)
- Calculations on 1,8‐naphthoquinone predict that the ground state of this diradical is a singlet (2018) (2)
- Ab initio calculations on the lowest .pi. state of difluorocarbene radical cation (1985) (2)
- Ab initio coupled-cluster and multi-reference configuration interaction studies of the low-lying electronic states of 1,2,3,4-cyclobutanetetraone (2016) (2)
- Differences Between Phenylcarbene and Phenylnitrene and the Ring Expansion Reactions They Undergo. (2002) (2)
- Violations of Hund′s Rule in Non-Kekule Hydrocarbons: Theoretical Prediction and Experimental Verification (1994) (2)
- Ab initio and DFT calculations on the Cope rearrangement, a reaction with a chameleonic transition state (2005) (2)
- AB INITIO CALCULATIONS ON THE INTERCONVERSION OF HOMOCUB-1(9)-ENE AND HOMOCUB-9-YLIDENE (1997) (2)
- Reaction of 2-phenylallylic alcohols with lithium aluminium hydride (1971) (2)
- Internal dynamics and optical rotations predicted for O(h)- and O-symmetric cubanes. (2008) (2)
- TRANSANNULAR PHOTOCHEMICAL RING CLOSURE OF 1,2,5,6-TETRAMETHYLENCYCLOOCTANE AS A SYNTHETIC ROUTE TO SMALL-RING PROPELLANES (1975) (2)
- Correction. Ab Initio Calculations Predict a Singlet Ground State for Tetramethyleneethane (1992) (2)
- Calculations of the relative energies of the low‐lying electronic states of 2,7‐naphthoquinodimethane and 2,7‐naphthoquinone. Substitution of oxygen for CH2 is predicted to increase the singlet‐triplet energy difference (ΔEST) (2018) (2)
- Experimental and Theoretical Studies of the F• + H-F Transition-State Region by Photodetachment of [F-H-F]. (2017) (2)
- The Unpredictability of Research Directions and the Synergy between Theory and Experiment in Physical‐Organic Chemistry (2016) (2)
- Qualitative and Quantitative Predictions and Measurements of Singlet-Triplet Splittings in Non-Kekule Hydrocarbon Diradicals and Heteroatom Derivatives (2000) (2)
- STEREOCHEMISTRY OF THE THERMAL AND PHOTOCHEMICAL REARRANGEMENT OF 7,7-DIMETHYLBICYCLO(4.1.1)OCTA-2,4-DIENE TO 8,8-DIMETHYLBICYCLO(5.1.0)OCTA-2,4-DIENE (1980) (1)
- When is H3 stable to asymmetric distortion? (1986) (1)
- H. C. Longuet-Higgins: The Man and His Science (2013) (1)
- Effects of CF2 group pyramidalization in the 1,1,3,3‐tetrafluoropropenyl anion (1990) (1)
- Attempted Preparation of 5,5-Difluoro-1,4-diphenylbicyclo(2.1.0) pentane - Serendipitous Synthesis of 1,3-Difluoro-2,4-diphenylbenzene. (1994) (1)
- Ab initio Calculations of the Barriers to Rotation in 1,1- Difluoroallyl Radical and an Analysis of the Factors That Govern Rotational Barriers in Fluorinated Allylic Radicals (1993) (1)
- The Partnership between Electronic Structure Calculations and Experiments in the Study of Reactive Intermediates (2005) (1)
- Ab initio Calculations Predict a Singlet Ground State for Tetramethyleneethane. (1987) (1)
- Frontispiz: Photoelectron Spectroscopy and Theoretical Studies of PCSe − , AsCS − , AsCSe − , and NCSe − : Insights into the Electronic Structures of the Whole Family of ECX − Anions (E=N, P, As; X=O, S, Se) (2019) (0)
- ELECTRONIC STRUCTURE OF OXYALLYL DIRADICAL: A PHOTOELECTRON SPECTROSCOPIC STUDY (2005) (0)
- Chair and Boat Transition States for the Cope Rearrangement. A CASSCF Study. (1988) (0)
- Ab-Initio Calculation of the Zero-Field Splitting Parameters of Vlnylmethylene (2002) (0)
- Ab initio Calculations of the Ring Opening of Methylenecyclopropane Radical Cation to Trimethylenemethane Radical Cation. (1987) (0)
- Ab initio Calculations Find That Formation of Cubyl Cation Requires Less Energy Than Formation of 1-Norbornyl Cation. (1990) (0)
- Stereomutation of Cyclopropane Revisited. An ab initio Investigation of the Potential Surface and Calculation of Secondary Isotope Effects. (1992) (0)
- Why does formation of 1,3-dimethylenecyclobutane-2,4-diyl from 1,3-dimethylenecyclobutane show a large positive deviation from bond enthalpy additivity? (2000) (0)
- Synthesis of Alkenes with Pyramidalized Double Bonds ‐ Unnatural Products of Theoretical Interest (1996) (0)
- A Doubly Pyramidalized Olefin: Matrix Isolation Spectroscopy of Tricyclo[3.3.2.03,7]dec-3(7)-ene. (1986) (0)
- Why are π Bonds to Phosphorus More Stable Toward Addition Reactions than π Bonds to Silicon (1987) (0)
- Ab initio Calculations on Borylphosphines: Prediction of a Synergistic Substituent Effect in Diborylphosphine. (1990) (0)
- Titelbild: The Lowest Singlet and Triplet States of the Oxyallyl Diradical (Angew. Chem. 45/2009) (2009) (0)
- Ab initio Calculations on 1,2,4,5-Tetramethylenebenzene at Geometries Optimized by π-CI Calculations. Prediction of a Singlet Ground State for a Disjoint Diradical. (1986) (0)
- Negative ion photoelectron spectroscopy of P[subscript 2]N[subscript 3]−: electron affinity and electronic structures of P[subscript 2]N[subscript 3]˙ (2016) (0)
- toelectron spectroscopy con fi rms the prediction that D 3 h carbon trioxide ( CO 3 ) has a singlet ground state † (2016) (0)
- Negative Ion Photoelectron Spectroscopy and Its Use in Investigating the Transition States for Some Organic Reactions (2017) (0)
- FLOW SYSTEM PYROLYSIS OF 7,7-DIMETHYLBICYCLO(4.1.1)OCTA-2,4-DIENE (1980) (0)
- Synthesis of 10-Selenatricyclo(3.3.3.03,7)undec-3(7)-ene. X-Ray Structure of an Alkene Containing a Pyramidalized Double Bond. (1987) (0)
- Ab initio Calculations on the Ring Opening of Cyclopropane Radical Cation. Trimethylene Radical Cation is not a Stable Intermediate. (1988) (0)
- A SERENDIPITOUS SYNTHESIS OF 1,2,5,6-TETRAMETHYL-3,4,7,8-TETRAMETHYLENETRICYCLO(3.3.0.02,6)OCTANE (1978) (0)
- Negative ion photoelectron spectroscopy of P 2 N 3 (cid:1) : electron a ffi nity and electronic structures of P 2 N 3 c † (2016) (0)
- Pyrolysis and Photolysis of 6,7-Diazatricyclo(3.2.2.12,4)dec-6-ene. (1987) (0)
- TriazaTMM Triplet Diradical (2008) (0)
- Triphenylcyclopropenide Anion (II) in the Gas Phase. (1987) (0)
- STEREOCHEMISTRY OF ELECTROPHILIC ATTACK ON THE PUTATIVE CARBANION INTERMEDIATE IN THE BASE-CATALYZED KETONIZATION OF 3,7-DIMETHYLTRICYCLO(3.3.0.03,7)OCTAN-1-OL. EVIDENCE AGAINST AN SE1 MECHANISM FOR KETONIZATION (1980) (0)
- Nucleus‐independent chemical shift analysis of the electronic states of the (CO)4, (CS)4, and (CSe)4 molecules (2016) (0)
- An initio Calculations of the Effects of Substituents on the Stabilization of Silyl Radicals versus Methyl Radicals. (1988) (0)
- Generation and Chemical Trapping of a Bis(ethano) Derivative of Tricyclo(3.3.0.03,7)oct‐1(5)‐ene: The Consummate Member of a Series of Pyramidalized Alkenes. (2010) (0)
- A FOUR STEP SYNTHESIS FROM α‐PINENE OF 7,7‐DIMETHYLBICYCLO(4.1.1)OCTA‐2,4‐DIENE (1977) (0)
- Ab Initio Calculations of the Relative Energies of Triplet (1982) (0)
- Thermal Reorganization of Two Pyramidalized Alkenes by Reverse Vinylcyclopropane Rearrangements. (1987) (0)
- Synthesis of Tricyclo(3.3.1.03,7)non-3(7)-ene, a Highly Pyramidalized Olefin. (1987) (0)
- With a Little Help from My Friends: Forty Years of Fruitful Chemical Collaborations (2011) (0)
- Ab initio Calculations of the Singlet-Triplet Energy Differences in Planar 2,4-Dimethylenecyclobutane-1,3-diyl and in Mono- and Dioxo Derivatives (I). (1989) (0)
- Ab initio Calculations on the β‐Cleavage Reactions of Polycyclic Radicals. Why Does Cubylcarbinyl React Much Faster than Either Homocubyl or 1‐Bicyclo(1.1.1)pentyl? (1996) (0)
- Synthesis and Spectroscopy of Tricyclo(3.3.3.03,7)undec-3(7)-ene: Confirmation of Computational Predictions Regarding the Effects of Pyramidalization on Alkene Ionization Energies and Electron Affinities. (1993) (0)
- SYNTHESIS, TRAPPING, AND DIMERIZATION OF 9,10-BENZOTRICYCLO(3.3.2.03,7)DECA-3(7),9(10)-DIENE. X-RAY CRYSTAL STRUCTURE OF THE DIMER (1977) (0)
- Frontispiece: Photoelectron Spectroscopy and Theoretical Studies of PCSe − , AsCS − , AsCSe − , and NCSe − : Insights into the Electronic Structures of the Whole Family of ECX − Anions (E=N, P, As; X=O, S, Se) (2019) (0)
- MIT Open Access Articles A Joint Experimental and Computational Study of the Negative Ion Photoelectron Spectroscopy of the 1-Phospha-2,3,4-Triazolate Anion, HCPN₃ (2022) (0)
- Ring Opening of Bicyclo(n.1.0)alkanones to 2-Cycloalkanone-1,3-diyls. Why Does Oxyallyl Diradical Formation Require Less Energy from Bicyclo( 3.1.0)hexan-6-ones than from Bicyclo(1.1.0)butan-2-ones? (1996) (0)
- Kinetics of the Thermal Isomerization of 7,7-Dimethylbicyclo[4.1.1]octa-2,4-diene and of 8,8-Dimethylbicyclo[5.1.0]octa-2,4-diene. (1986) (0)
- THE LOWEST SINGLE STATE OF PLANAR TRIMETHYLENEMETHANE (1975) (0)
- Abstracts of papers Minneapolis Fall Meeting (1963) (0)
- Matrix Isolation of Perfluorinated p-Benzyne W.S., H.H.W., and A.B. thank the Deutsche Forschungsgemeinschaft and the Fonds der Chemischen Industrie, W.T.B. and D.A.H. the National Science Foundation for financial support. The systematic name for perfluorinated p-benzyne is 1,4-didehydro-2,3,5,6-tet (2001) (0)
- Synthesis of Homocub-4(5)-ene: Confirmation of a Computational Prediction. (1989) (0)
- Surface-Enhanced Resonance Raman Scattering from Cytochrome c and Myoglobin Adsorbed on a Silver Electrode (2013) (0)
- SYNTHESIS OF 7-CARBOXYTRICYCLO(3.3.1.03,7)NONAN-3-OL (1984) (0)
- Additions and Corrections - Pyrolysis and Photolysis of 6,7-Diazatricyclo[3.2.2.12,4]dec-6-ene. (1987) (0)
- Cover Picture: The Lowest Singlet and Triplet States of the Oxyallyl Diradical (Angew. Chem. Int. Ed. 45/2009) (2009) (0)
- Trapping of Tricyclo(3.3.1.03,7)non-3(7)-ene with (Ph3P)2Pt. Structure of the (Ph3P)2Pt Complex of a Highly Pyramidalized Alkene. (1990) (0)
- A NEW SYNTHESIS OF BICYCLO(4.1.1)OCTA-2,4-DIENE AND ITS CYCLOADDITION REACTIONS WITH DIENOPHILES (1985) (0)
- OXIDATION OF 7-(HYDROXYMETHYL)BICYCLO(3.3.1)NONAN-3-OL. CONVENIENT SYNTHESIS OF BICYCLO(3.3.1)NONANE-3,7-DIONE (1980) (0)
- Diradicals Predicted To Have Ground States with 10 π Electrons in the Eight-Membered Ring and Two-Center , Three-Electron , σ Bonds between Two Pairs of Chalcogen Atoms (2010) (0)
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