| 1 |
Reaction of ClF and Cl-2 with PH2X: The oxidation of P(III) to P(V)
Alkorta I, Elguero J, Del Bene JE
Chemical Physics Letters, 715, 190, 2019 |
| 2 |
Group theory analyses of transition structures related to the gamma -> epsilon transformation in Fe-Mn-Si based alloys
Wan JF, Chen SP, Hsu TY
Materials Chemistry and Physics, 71(1), 90, 2001 |
| 3 |
Nonlocal (pair site) reactivity from second-order static density response function: Gas- and solution-phase reactivity of the acetaldehyde enolate as a test case
Contreras R, Domingo LR, Andres J, Perez P, Tapia O
Journal of Physical Chemistry A, 103(10), 1367, 1999 |
| 4 |
The mechanism of methoxy radical oxidation by O-2 in the gas phase. Computational evidence for direct H atom transfer assisted by an intermolecular noncovalent O center dot center dot center dot O bonding interaction
Bofill JM, Olivella S, Sole A, Anglada JM
Journal of the American Chemical Society, 121(6), 1337, 1999 |
| 5 |
Computational study of B4H10 addition to ethene. Baskets from boranes
Buhl M, McKee ML
Inorganic Chemistry, 37(19), 4953, 1998 |
| 6 |
Graph theoretical generation and analysis of hydrogen-bonded structures with applications to the neutral and protonated water cube and dodecahedral clusters
McDonald S, Ojamae L, Singer SJ
Journal of Physical Chemistry A, 102(17), 2824, 1998 |
| 7 |
Mechanism of addition of fluoromethyl radicals to fluoroethylenes
Korchowiec J, Uchimaru T
Journal of Physical Chemistry A, 102(33), 6682, 1998 |
| 8 |
Substituent effect on stereospecificity and energy of concert of the retro-Diels-Alder reaction of isopropylidenenorbornene
Tian J, Honk KN, Klarner FG
Journal of Physical Chemistry A, 102(39), 7662, 1998 |
| 9 |
Density functional theory study of a Lewis acid catalyzed Diels-Alder reaction. The butadiene plus acrolein paradigm
Garcia JI, Martinez-Merino V, Mayoral JA, Salvatella L
Journal of the American Chemical Society, 120(10), 2415, 1998 |
| 10 |
Proton transfer in the enzyme carbonic anhydrase : An ab initio study
Lu DS, Voth GA
Journal of the American Chemical Society, 120(16), 4006, 1998 |
