| Year |
Citation |
Score |
| 2009 |
Detrich J, Sachs ES, Wahl AC. Theoretical studies of atmospheric triatomic molecules International Journal of Quantum Chemistry. 18: 262-262. DOI: 10.1002/Qua.560180829 |
0.305 |
|
| 2009 |
Wahl AC, Sachs ES, Detrich JH. The Differential Correlation Energy Method For The Calculation Of Electron Affinities, Ionization Potentials And Vertical $Spectra^{*}$ International Journal of Quantum Chemistry. 18: 261-261. DOI: 10.1002/Qua.560180828 |
0.46 |
|
| 2009 |
Karo A, Krauss M, Wahl AC. Recent applications of the multiconfiguration self‐consistent field method to polarizabilities, excited states, van der waals forces, and triatomic surfaces International Journal of Quantum Chemistry. 7: 143-159. DOI: 10.1002/Qua.560070720 |
0.353 |
|
| 2009 |
Wahl AC, Bertoncini P, Kaiser K, Land R. Bison: A new instrument for the experimentalist† International Journal of Quantum Chemistry. 4: 499-512. DOI: 10.1002/Qua.560040714 |
0.322 |
|
| 2009 |
Wahl AC, Bertoncini PJ, Das G, Gilbert TL. Recent progress beyond the hartree-fock method for diatomic molecules: The method of optimized valence configurations† International Journal of Quantum Chemistry. 1: 123-152. DOI: 10.1002/Qua.560010615 |
0.329 |
|
| 1978 |
Wagner AF, Wahl AC, Karo AM, Krejci R. Classical inelastic scattering in Li+H2: A comparison of different potential energy surfaces Journal of Chemical Physics. 69: 3756-3774. DOI: 10.1063/1.437040 |
0.622 |
|
| 1978 |
Das G, Wahl AC, Zemke W, Stwalley WC. Accurateabinitiopotential curves for theX 2Πg,A 2Πu,a 4Σ−u, and2Σ−ustates of the 0−2ion The Journal of Chemical Physics. 68: 4252-4259. DOI: 10.1063/1.436293 |
0.468 |
|
| 1978 |
Das G, Wagner AF, Wahl AC. Calculated long‐range interactions and low energy scattering in He+H, Ne+H, Ar+H, Kr+H, and Xe+H Journal of Chemical Physics. 68: 4917-4929. DOI: 10.1063/1.435648 |
0.629 |
|
| 1977 |
Benioff PA, Das G, Wahl AC. Ab initio calculations of the minimum energy path in the doublet surface for the reaction N(4S)+O2(3Σ−g) →NO(2Πu) +O(3P) Journal of Chemical Physics. 67: 2449-2462. DOI: 10.1063/1.435201 |
0.392 |
|
| 1977 |
Stevens WJ, Hessel MM, Bertoncini PJ, Wahl AC. Theoretical transition dipole moments and lifetimes for the A 1Σ+u→X Σ+g system of Na2 Journal of Chemical Physics. 66: 1477-1482. DOI: 10.1063/1.434110 |
0.446 |
|
| 1977 |
England WB, Sabelli NH, Wahl AC, Karo A. Theoretical study of Li/sub 2/H. II. Correlation diagram, and collinear reactions of H with Li/sub 2/ and Li with LiH in ground and excited states The Journal of Physical Chemistry. 81: 772-776. DOI: 10.1021/J100523A018 |
0.329 |
|
| 1977 |
Fortune PJ, Rosenberg BJ, England WB, Wahl AC. Theoretical studies of atmospheric molecules: SCF and correlated energy levels for the NO2, NO2 + and NO2 - systems Theoretica Chimica Acta. 46: 183-189. DOI: 10.1007/Bf00578228 |
0.495 |
|
| 1976 |
Ermler WC, Mulliken RS, Wahl AC. Molecular orbital correlation diagrams for He2, He 2 +, N2, N2 +, CO, and CO+ The Journal of Chemical Physics. 66: 3031-3038. DOI: 10.1063/1.434316 |
0.554 |
|
| 1976 |
England W, Yeager D, Wahl AC. Theoretical studies of atmospheric triatomic molecules: Ab initio equations of motion excitation energies for valence states of the configuration 1π3 g2π1 u in CO2 The Journal of Chemical Physics. 66: 2344-2346. DOI: 10.1063/1.434270 |
0.413 |
|
| 1976 |
England WB, Ermler WC, Wahl AC. Theoretical studies of atmospheric triatomic molecules: Accurate SCF vertical spectrum for valence, mixed character, and Rydberg states of CO 2 The Journal of Chemical Physics. 66: 2336-2343. DOI: 10.1063/1.434269 |
0.393 |
|
| 1976 |
Fortune PJ, Rosenberg BJ, Wahl AC. Theoretical studies of atmospheric molecules: SCF and correlated potential surface results for the X 2B1 and ? 2B2 states of H2O+ Journal of Chemical Physics. 65: 2201-2205. DOI: 10.1063/1.433376 |
0.369 |
|
| 1976 |
Gardner MA, Karo AM, Wahl AC. Hartree–Fock potential energy curves for the X 2Σ+ and 2Π states of NeF and ArF Journal of Chemical Physics. 65: 1222-1224. DOI: 10.1063/1.433150 |
0.416 |
|
| 1976 |
England WB, Rosenberg BJ, Fortune PJ, Wahl AC. Abinitio vertical spectra and linear bent correlation diagrams for the valence states of CO2 and its singly charged ions Journal of Chemical Physics. 65: 684-691. DOI: 10.1063/1.433081 |
0.405 |
|
| 1976 |
Hopper DG, Wahl AC, Wu RLC, Tiernan TO. Theoretical and experimental studies of the N2O− and N2O ground state potential energy surfaces. Implications for the O−+N2→N2O+e and other processes Journal of Chemical Physics. 65: 5474-5494. DOI: 10.1063/1.433006 |
0.402 |
|
| 1976 |
Benioff P, Das G, Wahl AC. Ab initio calculations of the barrier for internal rotation in nitrous acid Journal of Chemical Physics. 64: 710-717. DOI: 10.1063/1.432216 |
0.453 |
|
| 1975 |
Henderson GA, Das G, Wahl AC. Multiconfiguration studies of some low-lying bound states of VH Journal of Chemical Physics. 63: 2805-2809. DOI: 10.1063/1.431712 |
0.434 |
|
| 1975 |
England WB, Sabelli NH, Wahl AC. A theoretical study of Li2H. I. Basis set and computational survey of excited states and possible reaction paths Journal of Chemical Physics. 63: 4596-4605. DOI: 10.1063/1.431269 |
0.416 |
|
| 1974 |
Stevens WJ, Das G, Wahl AC, Krauss M, Neumann D. Study of the ground state potential curve and dipole moment of OH by the method of optimized valence configurations Journal of Chemical Physics. 61: 3686-3699. DOI: 10.1063/1.1682554 |
0.472 |
|
| 1974 |
Das G, Janis T, Wahl AC. Ground and excited states of the diatoms CN and AlO Journal of Chemical Physics. 61: 1274-1279. DOI: 10.1063/1.1682049 |
0.425 |
|
| 1974 |
Das G, Wahl AC, Stevens WJ. Ab initio study of the NH radical Journal of Chemical Physics. 61: 433-434. DOI: 10.1063/1.1681663 |
0.317 |
|
| 1974 |
Stevens WJ, Wahl AC, Gardner MA, Karo AM. Ab initio calculation of the neon‐neon 1Σg+ potential at intermediate separations Journal of Chemical Physics. 60: 2195-2196. DOI: 10.1063/1.1681341 |
0.444 |
|
| 1974 |
Wagner AF, Das G, Wahl AC. Calculated long‐range interactions and low energy scattering of Ar–H Journal of Chemical Physics. 60: 1885-1891. DOI: 10.1063/1.1681289 |
0.614 |
|
| 1973 |
O'Hare PAG, Batana A, Wahl AC. Arsenic monofluoride (AsF, 3Σ): Dissociation enthalpy, ionization potential, electron affinity, dipole moment, spectroscopic constants, and ideal gas thermodynamic functions from a Hartree‐Fock molecular orbital investigation Journal of Chemical Physics. 59: 6495-6501. DOI: 10.1063/1.1680029 |
0.446 |
|
| 1973 |
Henderson GA, Zemke WT, Wahl AC. Hartree—Fock potential energy curves, spectroscopic constants, and 1‐electron properties for the lowest 2Σg+ and 2Πu states of Li2+ Journal of Chemical Physics. 58: 2654-2656. DOI: 10.1063/1.1679550 |
0.446 |
|
| 1973 |
Bertoncini PJ, Wahl AC. Ab initio calculation of the helium-helium [formula omitted] potential at intermediate and large separations. II. Changes in intra-atomic correlation energy Journal of Chemical Physics. 58: 1259-1261. DOI: 10.1063/1.1679320 |
0.452 |
|
| 1973 |
Hosteny RP, Hinds AR, Wahl AC, Krauss M. MC SCF calculations on the lowest triplet state of H2O Chemical Physics Letters. 23: 9-12. DOI: 10.1016/0009-2614(73)89550-8 |
0.442 |
|
| 1972 |
O'Hare PAG, Wahl AC. Thermochemical and Theoretical Investigations of the Sodium‐Oxygen System. II. Properties of NaO and Its Ions from Hartree‐Fock Molecular Orbital Studies Journal of Chemical Physics. 56: 4516-4525. DOI: 10.1063/1.1677898 |
0.485 |
|
| 1972 |
Das G, Wahl AC. Theoretical Study of the F2 Molecule Using the Method of Optimized Valence Configurations Journal of Chemical Physics. 56: 3532-3540. DOI: 10.1063/1.1677728 |
0.484 |
|
| 1972 |
Das G, Wahl AC. New Techniques for the Computation of Multiconfiguration Self‐Consistent Field (MCSCF) Wavefunctions Journal of Chemical Physics. 56: 1769-1775. DOI: 10.1063/1.1677438 |
0.343 |
|
| 1972 |
Zemke WT, Das G, Wahl AC. Theoretical determination of the electron affinity of O2 molecule from the binding energy of O- 2 Chemical Physics Letters. 14: 310-314. DOI: 10.1016/0009-2614(72)80121-0 |
0.385 |
|
| 1971 |
O'Hare PAG, Wahl AC. Molecular Orbital Investigation of CF and SiF and Their Positive and Negative Ions Journal of Chemical Physics. 55: 666-676. DOI: 10.1063/1.1676136 |
0.449 |
|
| 1971 |
Gilbert TL, Wahl AC. Single‐Configuration Wavefunctions and Potential Curves for Low‐Lying States of He2+, Ne2+, Ar2+, F2−, Cl2− and the Ground State of Cl2 Journal of Chemical Physics. 55: 5247-5261. DOI: 10.1063/1.1675665 |
0.498 |
|
| 1971 |
O'Hare PAG, Wahl AC. Dissociation Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments of Chlorine Monoxide (ClO, 2Π) from Ab Initio Molecular Orbital Calculations Journal of Chemical Physics. 54: 3770-3776. DOI: 10.1063/1.1675427 |
0.485 |
|
| 1971 |
Krauss M, Maldonado P, Wahl AC. Interaction Energy Curves of LiHe and NaHe (X 2Σ+, A 2Π, B 2Σ+) and X 1Σ+ Ions Journal of Chemical Physics. 54: 4944-4953. DOI: 10.1063/1.1674773 |
0.449 |
|
| 1971 |
O'Hare PAG, Wahl AC. Quantum‐Chemical Study of Some Pnicogen Monofluorides Journal of Chemical Physics. 54: 4563-4577. DOI: 10.1063/1.1674723 |
0.499 |
|
| 1971 |
Julienne PS, Krauss M, Wahl AC. Hartree-Fock energy curves for X2Π and 2Σ+ states of HF+ Chemical Physics Letters. 11: 16-20. DOI: 10.1016/0009-2614(71)80521-3 |
0.425 |
|
| 1970 |
Bertoncini P, Wahl AC. Ab initio calculation of the helium-helium Ig+1 potential at intermediate and large separations Physical Review Letters. 25: 991-994. DOI: 10.1103/Physrevlett.25.991 |
0.452 |
|
| 1970 |
O'Hare PAG, Wahl AC. Hartree–Fock Wavefunctions and Computed Properties for the Ground (2π) States of SF and SeF and Their Positive and Negative Ions. A Comparison of the Theoretical Results with Experiment Journal of Chemical Physics. 53: 2834-2846. DOI: 10.1063/1.1674409 |
0.485 |
|
| 1970 |
Bowman JD, Hirschfelder JO, Wahl AC. Extended Hartree–Fock Calculations for the Ground State and Hartree–Fock Calculations for the First Excited State of H2 The Journal of Chemical Physics. 53: 2743-2749. DOI: 10.1063/1.1674398 |
0.452 |
|
| 1970 |
O'Hare PAG, Wahl AC. Oxygen Monofluoride (OF, 2π): Hartree–Fock Wavefunction, Binding Energy, Ionization Potential, Electron Affinity, Dipole and Quadrupole Moments, and Spectroscopic Constants. A Comparison of Theoretical and Experimental Results Journal of Chemical Physics. 53: 2469-2478. DOI: 10.1063/1.1674349 |
0.483 |
|
| 1970 |
Carlson KD, Kaiser K, Moser C, Wahl AC. Electronic Structure and Low‐Lying Triplet States of CaO Journal of Chemical Physics. 52: 4678-4691. DOI: 10.1063/1.1673700 |
0.443 |
|
| 1970 |
Bertoncini PJ, Das G, Wahl AC. Theoretical Study of the 1Σ+, 3Σ+, 3Π, 1Π States of NaLi and the 2Σ+ State of NaLi+ Journal of Chemical Physics. 52: 5112-5130. DOI: 10.1063/1.1672750 |
0.476 |
|
| 1970 |
Wahl AC, Das G. The Method of Optimized Valence Configurations: A Reasonable Application of the Multiconfiguration Self-Consistent-Field Technique to the Quantitative Description of Chemical Bonding Advances in Quantum Chemistry. 5: 261-296. DOI: 10.1016/S0065-3276(08)60342-1 |
0.416 |
|
| 1970 |
Sutton P, Bertoncini P, Das G, Gilbert TL, Wahl AC, Sinanoǧlu O. Methods for correlating molecules and some optimized valence configuration results on the diatomic molecules Li2, Be2, B2 C2, N2, F2; BN, BeO, LiF, HeNe; CO and BF International Journal of Quantum Chemistry. 4: 479-497. DOI: 10.1002/Qua.560040713 |
0.409 |
|
| 1969 |
Zemke WT, Lykos PG, Wahl AC. Double Configuration Self‐Consistent Field Study of the 1Πu, 3Πu, 1Πg and 3Πg States of H2 Journal of Chemical Physics. 51: 5635-5650. DOI: 10.1063/1.1671993 |
0.445 |
|
| 1967 |
Gilbert TL, Wahl AC. Single‐Configuration Wavefunctions and Potential Curves for the Ground States of He2, Ne2, and Ar2 Journal of Chemical Physics. 47: 3425-3438. DOI: 10.1063/1.1712408 |
0.518 |
|
| 1967 |
Das G, Wahl AC. Extended Hartree—Fock Wavefunctions: General Theory of Optimized‐Valence Configurations and Its Application to Diatomic Molecules Journal of Chemical Physics. 47: 2934-2942. DOI: 10.1063/1.1712318 |
0.398 |
|
| 1966 |
Cade PE, Sales KD, Wahl AC. Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular Ions Journal of Chemical Physics. 44: 1973-2003. DOI: 10.1063/1.1726972 |
0.44 |
|
| 1966 |
Das G, Wahl AC. Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2 Journal of Chemical Physics. 44: 87-96. DOI: 10.1063/1.1726508 |
0.406 |
|
| 1964 |
Wahl AC. Analytic Self‐Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules Journal of Chemical Physics. 41: 2600-2611. DOI: 10.1063/1.1726327 |
0.404 |
|
| 1964 |
Wahl AC, Cade PE, Roothaan CCJ. Study of Two-Center Integrals Useful in Calculations on Molecular Structure. V. General Methods for Diatomic Integrals Applicable to Digital Computers Journal of Chemical Physics. 41: 2578-2599. DOI: 10.1063/1.1726326 |
0.395 |
|
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