| Year |
Citation |
Score |
| 2009 |
Jaeger HM, Schaefer HF, Dykstra CE. The N2-benzene tethered top Journal of Molecular Structure: Theochem. 895: 168-171. DOI: 10.1016/j.theochem.2008.11.025 |
0.433 |
|
| 2006 |
Jaeger HM, Swenson DW, Dykstra CE. Remarkable features in the interactions of quadrupolar molecules. The Journal of Physical Chemistry. A. 110: 6399-407. PMID 16706394 DOI: 10.1021/Jp0575355 |
0.605 |
|
| 2006 |
Swenson DWH, Jaeger HM, Dykstra CE. Clustering of molecular hydrogen around benzene Chemical Physics. 326: 329-334. DOI: 10.1016/j.chemphys.2006.02.009 |
0.526 |
|
| 2005 |
Dykstra CE, Frenking G, Kim KS, Scuseria GE. Computing technologies, theories, and algorithms: The making of 40 years and more of theoretical and computational chemistry Theory and Applications of Computational Chemistry. 1-7. DOI: 10.1016/B978-044451719-7/50044-5 |
0.447 |
|
| 2004 |
Chenoweth K, Dykstra CE. Pinwheel binding of hydrogen molecules to acetylene Chemical Physics Letters. 400: 153-157. DOI: 10.1016/j.cplett.2004.10.074 |
0.338 |
|
| 2003 |
Dykstra CE. Significant low-order effects in the onset of protonation and related interactions Journal of Physical Chemistry A. 107: 4196-4202. DOI: 10.1021/Jp022651I |
0.389 |
|
| 2003 |
Chenoweth K, Dykstra CE. Diacetylene's weak bonding to acetylene clusters Theoretical Chemistry Accounts. 110: 100-104. DOI: 10.1007/s00214-003-0458-y |
0.301 |
|
| 2002 |
Chenoweth K, Dykstra CE. The slippery sliding interaction of acetylene with polyynes Journal of Physical Chemistry A. 106: 8117-8123. DOI: 10.1021/Jp014474B |
0.386 |
|
| 2000 |
Shuler K, Dykstra CE. Interaction Potentials and Vibrational Effects in the Acetylene Dimer Journal of Physical Chemistry A. 104: 4562-4570. DOI: 10.1021/Jp9940405 |
0.434 |
|
| 2000 |
Zhou T, Dykstra CE. Additivity and transferability of atomic contributions to molecular second dipole hyperpolarizabilities Journal of Physical Chemistry A. 104: 2204-2210. DOI: 10.1021/Jp9925886 |
0.365 |
|
| 2000 |
Shuler K, Dykstra CE. A Model Study of Aggregation of Acetylene Molecules Journal of Physical Chemistry A. 104: 11522-11530. DOI: 10.1021/Jp002872T |
0.417 |
|
| 1999 |
De Oliveira G, Dykstra CE. Anomalous isotope effect in Ar-H2S versus the normal effect in Ne-H2S Journal of Chemical Physics. 110: 289-295. DOI: 10.1063/1.478064 |
0.405 |
|
| 1999 |
Dykstra CE. Molecular structure of the methyl anion CH−3. An investigation of the effects of electron correlation using the theory of self-consistent electron pairs (SCEP) The Journal of Chemical Physics. 67: 4071. DOI: 10.1002/Chin.197808076 |
0.312 |
|
| 1998 |
Dykstra CE. Modeling weak interaction elements affecting the structures and vibrational red-shifts of ArnHF clusters (n=1 to ∞) The Journal of Chemical Physics. 108: 6619-6632. DOI: 10.1063/1.476077 |
0.401 |
|
| 1998 |
Stout JM, Dykstra CE. A distributed model of the electrical response of organic molecules Journal of Physical Chemistry A. 102: 1576-1582. DOI: 10.1021/Jp972354R |
0.421 |
|
| 1997 |
de Oliveira G, Dykstra CE. The weak interaction potential of Ar–H2S The Journal of Chemical Physics. 106: 5316-5323. DOI: 10.1063/1.473562 |
0.437 |
|
| 1997 |
Lee BK, Stout JM, Dykstra CE. Ab initio calculations of lithium hydride Journal of Molecular Structure: Theochem. 400: 57-68. |
0.339 |
|
| 1996 |
De Oliveira G, Dykstra CE. Weakly bonded clusters of H2S Journal of Molecular Structure: Theochem. 362: 275-281. DOI: 10.1016/0166-1280(95)04429-9 |
0.339 |
|
| 1996 |
Van Voorhis T, Dykstra CE. Hydrogen bonding in mixed water tetramers Molecular Physics. 87: 931-944. |
0.302 |
|
| 1995 |
Stout JM, Dykstra CE. Static dipole polarizabilities of organic molecules. Ab initio calculations and a predictive model Journal of the American Chemical Society. 117: 5127-5132. DOI: 10.1021/Ja00123A015 |
0.394 |
|
| 1995 |
Dykstra CE. Model study of weak bonding to weakly bound dimers Journal of Physical Chemistry. 99: 11680-11686. DOI: 10.1021/J100030A010 |
0.445 |
|
| 1994 |
Parish CA, Dykstra CE. Three-body analytical potential for interacting helium atoms The Journal of Chemical Physics. 101: 7616-7624. DOI: 10.1063/1.468255 |
0.648 |
|
| 1994 |
Franken KA, Dykstra CE. A water-water potential derived using a quantum Monte Carlo vibrational analysis The Journal of Chemical Physics. 100: 2865-2870. DOI: 10.1063/1.466479 |
0.387 |
|
| 1993 |
Augspurger JD, Dykstra CE. Derivative Hartree-Fock approach to molecular Sternheimer shielding. Calculation of intermolecular influence on nuclear quadrupole coupling Journal of Chemical Physics. 99: 1828-1836. DOI: 10.1063/1.465300 |
0.34 |
|
| 1993 |
Parish CA, Dykstra CE. Pairwise and many‐body contributions to interaction potentials in Hen clusters The Journal of Chemical Physics. 98: 437-443. DOI: 10.1063/1.464637 |
0.678 |
|
| 1993 |
Augspurger JD, Dykstra CE. Correlation of fluorine-19 chemical shielding and chemical shift nonequivalence Journal of the American Chemical Society. 115: 12016-12019. DOI: 10.1021/Ja00078A045 |
0.412 |
|
| 1993 |
Franken KA, Dykstra CE. Interaction potentials for dimer and trimer complexes with molecular nitrogen Journal of Physical Chemistry. 97: 11408-11414. DOI: 10.1021/J100146A012 |
0.411 |
|
| 1993 |
Parish CA, Dykstra CE. Partially coupled electrical model of vibrational frequency shifts in weak atom-diatomic and diatomic-diatomic complexes Journal of Physical Chemistry. 97: 9374-9379. DOI: 10.1021/J100139A020 |
0.675 |
|
| 1993 |
Augspurger JD, Dykstra CE, Zwier TS. Model study of the structures and stabilities of benzene- (H2O)2-12 complexes Journal of Physical Chemistry. 97: 980-984. DOI: 10.1021/J100107A002 |
0.363 |
|
| 1993 |
Parish CA, Dykstra CE. Pairwise and many-body contributions to interaction potentials in He n clusters The Journal of Chemical Physics. 98: 437-443. |
0.325 |
|
| 1992 |
Augspurger JD, Dykstra CE, Zwier TS. Hydrogen-bond swapping in the benzene-water complex. A model study of the interaction potential Journal of Physical Chemistry. 96: 7252-7257. DOI: 10.1021/J100197A023 |
0.378 |
|
| 1992 |
Parish CA, Augspurger JD, Dykstra CE. Weakly bound complexes of carbon monoxide Journal of Physical Chemistry. 96: 2069-2079. DOI: 10.1021/J100184A011 |
0.684 |
|
| 1992 |
Franken KA, Jalaie M, Dykstra CE. Model studies of six-membered water clusters Chemical Physics Letters. 198: 59-66. DOI: 10.1016/0009-2614(92)90049-S |
0.302 |
|
| 1992 |
Augspurger JD, Dykstra CE. Potential surfaces and intermolecular vibrational frequencies of hydrogen chloride complexes Chemical Physics Letters. 189: 303-310. DOI: 10.1016/0009-2614(92)85206-P |
0.342 |
|
| 1991 |
Dykstra CE, Augspurger JD. Reply to the comment on: Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis The Journal of Chemical Physics. 95: 3863. DOI: 10.1063/1.460793 |
0.355 |
|
| 1991 |
Augspurger JD, Dykstra CE. Electromagnetic properties of molecules from a uniform procedure for differentiation of molecular wave functions to high order Journal of Physical Chemistry. 95: 9230-9238. DOI: 10.1021/J100176A037 |
0.318 |
|
| 1990 |
Dykstra CE, Kirtman B. Local Quantum Chemistry Annual Review of Physical Chemistry. 41: 155-174. DOI: 10.1146/Annurev.Pc.41.100190.001103 |
0.384 |
|
| 1990 |
Dykstra CE, Andrews L. Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis Journal of Chemical Physics. 92: 6043-6048. DOI: 10.1063/1.458376 |
0.451 |
|
| 1990 |
Dykstra CE. Theoretical characterization of the potential surfaces and properties of weakly bonded acetylene Journal of the American Chemical Society. 112: 7540-7545. DOI: 10.1021/Ja00177A014 |
0.446 |
|
| 1990 |
Dykstra CE. Weak interaction potentials of large clusters developed from small cluster information Journal of Physical Chemistry. 94: 6948-6956. DOI: 10.1021/J100381A007 |
0.384 |
|
| 1990 |
Dykstra CE. Intermolecular vibrational frequencies of (HF)n and (HCN)n weak complexes by electrical molecular mechanics Journal of Physical Chemistry. 94: 180-185. DOI: 10.1021/J100364A028 |
0.436 |
|
| 1990 |
Dykstra CE, Andrews L. Structures, stabilities, and intermolecular vibrational frequencies of small ammonia complexes by molecular mechanics for clusters analysis The Journal of Chemical Physics. 92: 6043-6048. |
0.354 |
|
| 1989 |
Dykstra CE. Structures and vibrational frequencies of small water complexes from electrical molecular mechanics The Journal of Chemical Physics. 91: 6472-6476. DOI: 10.1063/1.457363 |
0.4 |
|
| 1989 |
Dykstra CE. Molecular mechanics for weakly interacting assemblies of rare gas atoms and small molecules Journal of the American Chemical Society. 111: 6168-6174. DOI: 10.1021/Ja00198A029 |
0.443 |
|
| 1989 |
Augspurger JD, Dykstra CE. Weak, long-range complexes of Mg with HF and H2 Chemical Physics Letters. 158: 399-404. DOI: 10.1016/0009-2614(89)87359-2 |
0.434 |
|
| 1988 |
Kolenbrander KD, Dykstra CE, Lisy JM. Torsional vibrational modes of (HF)3: IR–IR double resonance spectroscopy and electrical interaction theory The Journal of Chemical Physics. 88: 5995-6012. DOI: 10.1063/1.454492 |
0.408 |
|
| 1988 |
Hancock GC, Truhlar DG, Dykstra CE. An analytic representation of the six‐dimensional potential energy surface of hydrogen fluoride dimer The Journal of Chemical Physics. 88: 1786-1796. DOI: 10.1063/1.454102 |
0.395 |
|
| 1988 |
Augspurger JD, Dykstra CE. Geometrical dependence of the electrical properties of H+3 The Journal of Chemical Physics. 88: 3817-3825. DOI: 10.1063/1.453882 |
0.364 |
|
| 1988 |
Dykstra CE. Efficient calculation of electrically based intermolecular potentials of weakly bonded clusters Journal of Computational Chemistry. 9: 476-487. DOI: 10.1002/Jcc.540090506 |
0.432 |
|
| 1988 |
Hancock GC, Truhlar DG, Dykstra CE. An analytic representation of the six-dimensional potential energy surface of hydrogen fluoride dimer The Journal of Chemical Physics. 88: 1786-1796. |
0.307 |
|
| 1987 |
Dykstra CE, Malik DJ. Derivative Numerov-Cooley theory. A method for finding vibrational state properties of diatomic molecules The Journal of Chemical Physics. 87: 2806-2811. DOI: 10.1063/1.453719 |
0.376 |
|
| 1987 |
Dykstra CE. Nature of intermolecular electrical interactions in clusters Journal of Physical Chemistry. 91: 6216-6221. DOI: 10.1021/J100308A030 |
0.403 |
|
| 1987 |
Liu SY, Dykstra CE. Multipole polarizabilities and hyperpolarizabilities of AHn and A2Hn molecules from derivative Hartree-Fock theory Journal of Physical Chemistry. 91: 1749-1754. DOI: 10.1021/J100291A015 |
0.403 |
|
| 1987 |
Liu Sy, Dykstra CE. Sensitivity of monomer nuclear quadrupole coupling constants to hydrogen bond formation Chemical Physics. 115: 461-467. DOI: 10.1016/0301-0104(87)80057-5 |
0.356 |
|
| 1987 |
Bernholdt DE, Irwin JD, Lacosse JP, Loushin SK, Mattson KJ, Miers JB, Park KD, Tanaka LK, Dykstra CE. The structures and stabilities of H4C2N2 isomers Journal of Molecular Structure: Theochem. 153: 175-183. DOI: 10.1016/0166-1280(87)85015-7 |
0.382 |
|
| 1987 |
Liu Sy, Dykstra CE. Electrically caused vibrational frequency shifts and dipole moments in rare gas hydrogen bonded complexes Chemical Physics Letters. 136: 22-25. DOI: 10.1016/0009-2614(87)87291-3 |
0.397 |
|
| 1987 |
Cramer CJ, Dykstra CE, Denmark SE. An AB initio study of the [1,2] proton transfer from phosphine oxide to phosphinic acid Chemical Physics Letters. 136: 17-21. DOI: 10.1016/0009-2614(87)87290-1 |
0.336 |
|
| 1987 |
Dykstra CE. Intermolecular electrical interactions and the structures and rigidity of cyclic, weakly bonded complexes Chemical Physics Letters. 141: 159-162. DOI: 10.1016/0009-2614(87)85001-7 |
0.401 |
|
| 1987 |
Dykstra CE, Liu Sy, Daskalakis MF, Lucia JP, Takahashi M. Further tests of the approximate double substitution coupled-cluster method Chemical Physics Letters. 137: 266-272. DOI: 10.1016/0009-2614(87)80217-8 |
0.429 |
|
| 1987 |
Loushin SK, Dykstra CE. Polarization counterpoise corrections to correlated hydrogen bond interaction energies Journal of Computational Chemistry. 8: 81-83. DOI: 10.1002/Jcc.540080110 |
0.403 |
|
| 1986 |
Bernholdt DE, Liu S, Dykstra CE. A theoretical study of the structure, bonding, and vibrational frequency shifts of the H2–HF complex The Journal of Chemical Physics. 85: 5120-5127. DOI: 10.1063/1.451705 |
0.471 |
|
| 1986 |
Liu SY, Daskalakis MF, Dykstra CE. The effects of basis set selection on the vibrational transition frequencies obtained from SCF and correlated wave functions for an uncomplicated molecule, LiH The Journal of Chemical Physics. 85: 5877-5881. DOI: 10.1063/1.451549 |
0.387 |
|
| 1986 |
Liu SY, Dykstra CE, Kolenbrander K, Lisy JM. Electrical properties of ammonia and the structure of the ammonia dimer The Journal of Chemical Physics. 85: 2077-2083. DOI: 10.1063/1.451151 |
0.4 |
|
| 1986 |
Kirtman B, Dykstra CE. Local space approximation for configuration interaction and coupled cluster wave functions Journal of Chemical Physics. 85: 2791-2796. DOI: 10.1063/1.451036 |
0.343 |
|
| 1986 |
Liu SY, Michael DW, Dykstra CE, Lisy JM. The stabilities of the hydrogen fluoride trimer and tetramer The Journal of Chemical Physics. 84: 5032-5036. DOI: 10.1063/1.450652 |
0.427 |
|
| 1986 |
Liu SY, Dykstra CE. A theory of vibrational transition frequency shifts due to hydrogen bonding Journal of Physical Chemistry. 90: 3097-3103. DOI: 10.1021/J100405A013 |
0.435 |
|
| 1986 |
Liu Sy, Dykstra CE. Electrical influence on monomer orientation in hydrogen bonded and other weakly bonded complexes Chemical Physics. 107: 343-349. DOI: 10.1016/0301-0104(86)85012-1 |
0.421 |
|
| 1986 |
Dykstra CE, Liu SY, Malik DJ. The hydrogen bonding influence on polarizability and hyperpolarizability. A derivative hartree-fock study of the electrical properties of hydrogen fluoride and the hydrogen fluoride dimer Journal of Molecular Structure: Theochem. 135: 357-368. DOI: 10.1016/0166-1280(86)80069-0 |
0.392 |
|
| 1986 |
Liu Sy, Dykstra CE, Malik DJ. Electrical effects on the vibrational transitions of hydrogen fluoride due to hydrogen bonding and applied fields Chemical Physics Letters. 130: 403-409. DOI: 10.1016/0009-2614(86)80494-8 |
0.405 |
|
| 1986 |
Bernholdt DE, Liu SY, Dykstra CE. A theoretical study of the structure, bonding, and vibrational frequency shifts of the H2-HF complex The Journal of Chemical Physics. 85: 5120-5127. |
0.375 |
|
| 1985 |
Loushin SK, Liu SY, Dykstra CE. Improved counterpoise corrections for the ab initio calculation of hydrogen bonding interactions The Journal of Chemical Physics. 84: 2720-2725. DOI: 10.1063/1.450347 |
0.426 |
|
| 1985 |
Malik DJ, Dykstra CE. Vibrational motion effects on molecular polarizabilities. Shifts in vibrational transition frequencies and transition moments of lithium hydride from applied electrical fields The Journal of Chemical Physics. 83: 6307-6315. DOI: 10.1063/1.449582 |
0.376 |
|
| 1985 |
Dykstra CE. Dipole (electric field) and quadrupole (field gradient) polarizabilities of hydrogen, nitrogen, and acetylene from the application of derivative Hartree-Fock theory The Journal of Chemical Physics. 82: 4120-4125. DOI: 10.1063/1.448852 |
0.411 |
|
| 1985 |
Cahill PA, Dykstra CE, Martin JC. The structure and stability of the 10-F-2 trifluoride ion, a compound of a hypervalent first row element Journal of the American Chemical Society. 107: 6359-6362. DOI: 10.1021/Ja00308A032 |
0.304 |
|
| 1985 |
Jasien PG, Dykstra CE. The influence of a second magnesium atom in unsolvated magnesium-hydrogen halide reactions Journal of the American Chemical Society. 107: 1891-1895. DOI: 10.1021/Ja00293A015 |
0.351 |
|
| 1985 |
Liu Sy, Dykstra CE. Polarizabilities and hyperpolarizabilities of methane. The importance of valence charge polarization in polyatomic molecules Chemical Physics Letters. 119: 407-411. DOI: 10.1016/0009-2614(85)80444-9 |
0.368 |
|
| 1985 |
Jasien PG, Dykstra CE. First derivatives of correlated wave functions by a matrix‐oriented method: Preliminary application to molecular dipole and quadrupole moments International Journal of Quantum Chemistry. 28: 411-417. DOI: 10.1002/Qua.560280308 |
0.39 |
|
| 1984 |
Michael DW, Dykstra CE, Lisy JM. Changes in the electronic structure and vibrational potential of hydrogen fluoride upon dimerization: A well‐correlated (HF)2 potential energy surface Journal of Chemical Physics. 81: 5998-6006. DOI: 10.1063/1.447601 |
0.424 |
|
| 1984 |
Benzel MA, Dykstra CE. Erratum: The nature of hydrogen bonding in the NN–HF, OC–HF, and HCN–HF complexes [J. Chem. Phys. 78, 4052 (1983)] The Journal of Chemical Physics. 80: 3510-3511. DOI: 10.1063/1.447304 |
0.322 |
|
| 1984 |
Dykstra CE, Jasien PG. Derivative Hartree-Fock theory to all orders Chemical Physics Letters. 109: 388-393. DOI: 10.1016/0009-2614(84)85607-9 |
0.361 |
|
| 1984 |
Dykstra CE. Vibrational and rotational transition frequencies and the stability of the HeHNCH+ ion Chemical Physics Letters. 111: 405-407. DOI: 10.1016/0009-2614(84)85529-3 |
0.335 |
|
| 1984 |
Jasien PG, Dykstra CE. An ab initio study of the stability and electronic structure of univalent magnesium salts Chemical Physics Letters. 106: 276-279. DOI: 10.1016/0009-2614(84)80295-X |
0.391 |
|
| 1984 |
Michael DW, Dykstra CE, Lisy JM. Changes in the electronic structure and vibrational potential of hydrogen fluoride upon dimerization: A well-correlated (HF)2 potential energy surface The Journal of Chemical Physics. 81: 5998-6006. |
0.338 |
|
| 1983 |
Clemmons JH, Jasien PG, Dykstra CE. Possible precursors in HCN oligomerization Molecular Physics. 48: 631-637. DOI: 10.1080/00268978300100461 |
0.419 |
|
| 1983 |
Benzel MA, Dykstra CE. The nature of hydrogen bonding in the NN–HF, OC–HF, and HCN–HF complexes Journal of Chemical Physics. 78: 4052-4062. DOI: 10.1063/1.445132 |
0.433 |
|
| 1983 |
Benzel MA, Dykstra CE. Conformational energetics in hydrogen-bonded dimers. The unobserved COHF complex Chemical Physics. 80: 273-278. DOI: 10.1016/0301-0104(83)85281-1 |
0.42 |
|
| 1983 |
Dykstra CE. The strong hydrogen bond in HeHHe+ and its weak counterpart in HeH+3 Journal of Molecular Structure: Theochem. 103: 131-138. DOI: 10.1016/0166-1280(83)85014-3 |
0.412 |
|
| 1983 |
Jasien PG, Dykstra CE. The significance of double substitutions in well‐correlated electronic wave functions International Journal of Quantum Chemistry. 24: 289-296. DOI: 10.1002/Qua.560240833 |
0.346 |
|
| 1983 |
Benzel MA, Dykstra CE. The nature of hydrogen bonding in the NN-HF, OC-HF, and HCN-HF complexes The Journal of Chemical Physics. 78: 4052-4062. |
0.325 |
|
| 1982 |
Benzel MA, Dykstra CE. The equilibrium structures of the NN–HF and OC–HF complexes Journal of Chemical Physics. 77: 1602-1603. DOI: 10.1063/1.443942 |
0.377 |
|
| 1982 |
Jasien PG, Dykstra CE. The most efficacious one-electron bases for determining and representing correlated molecular electronic wave functions. Unity in seemingly disparate electron correlation methods The Journal of Chemical Physics. 76: 4564-4570. DOI: 10.1063/1.443533 |
0.347 |
|
| 1982 |
Gandhi SR, Benzel MA, Dykstra CE, Fukunaga T. Role of electron correlation and polarization functions in the energy difference between cis- and trans-1,2-difluoroethylene Journal of Physical Chemistry. 86: 3121-3126. DOI: 10.1021/J100213A013 |
0.396 |
|
| 1982 |
Chiles RA, Dykstra CE. The strong, linear hydrogen bond in Al2H-7 Chemical Physics Letters. 92: 471-473. DOI: 10.1016/0009-2614(82)87042-5 |
0.378 |
|
| 1982 |
Chiles RA, Dykstra CE. The potential energy curves of HeBe, HeMg and BeMg Chemical Physics Letters. 85: 447-450. DOI: 10.1016/0009-2614(82)83491-X |
0.34 |
|
| 1982 |
Benzel MA, Dykstra CE. An open‐ended self‐consistent field method. A simulation of a molecular orbital technique for small memory computers Journal of Computational Chemistry. 3: 260-264. DOI: 10.1002/Jcc.540030218 |
0.318 |
|
| 1981 |
Dykstra CE, Secrest D. Higher-order electron correlation effects in triatomic potential energy surfaces. Stretching vibrations of HCN and HNC The Journal of Chemical Physics. 75: 3967-3972. DOI: 10.1063/1.442554 |
0.419 |
|
| 1981 |
Bachrach SM, Chiles RA, Dykstra CE. Application of an approximate double substitution coupled cluster (ACCD) method to the potential curves of CO and NeHe: Higher order correlation effects in chemically and weakly bonded molecules The Journal of Chemical Physics. 75: 2270-2275. DOI: 10.1063/1.442288 |
0.437 |
|
| 1981 |
Chiles RA, Dykstra CE, Jordan KD. Bonding in the Mg4 cluster. An example of chemical bonding originating from electron correlation effects The Journal of Chemical Physics. 75: 1044-1046. DOI: 10.1063/1.442054 |
0.413 |
|
| 1981 |
Chiles RA, Dykstra CE. An electron pair operator approach to coupled cluster wave functions. Application to He2, Be2, and Mg2and comparison with CEPA methods The Journal of Chemical Physics. 74: 4544-4556. DOI: 10.1063/1.441643 |
0.384 |
|
| 1981 |
Komornicki A, Dykstra CE, Vincent MA, Radom L. A theoretical study of propadienone and its isomers propynal and cyclopropenone Journal of the American Chemical Society. 103: 1652-1656. DOI: 10.1021/Ja00397A009 |
0.434 |
|
| 1981 |
Benzel MA, Dykstra CE, Vincent MA. A molecular orbital comparison of the asymmetric and symmetric nitric oxide dimers Chemical Physics Letters. 78: 139-142. DOI: 10.1016/0009-2614(81)85571-6 |
0.349 |
|
| 1981 |
Chiles RA, Dykstra CE. An efficient and accurate approximation to double substitution coupled cluster wavefunctions Chemical Physics Letters. 80: 69-72. DOI: 10.1016/0009-2614(81)80059-0 |
0.341 |
|
| 1981 |
Dykstra CE, Chiles RA, Garrett MD. Recent computational developments with the self‐consistent electron pairs method and application to the stability of glycine conformers Journal of Computational Chemistry. 2: 266-272. DOI: 10.1002/Jcc.540020308 |
0.381 |
|
| 1980 |
Wilmshurst JK, Dykstra CE. Allenic anions. Structure and inversion barrier of H2CCCH- Journal of the American Chemical Society. 102: 4668-4672. DOI: 10.1021/Ja00534A018 |
0.342 |
|
| 1980 |
Vincent MA, Dykstra CE. The cyanamide-isocyanamide rearrangement The Journal of Chemical Physics. 73: 3838-3842. DOI: 10.1002/Chin.198105161 |
0.375 |
|
| 1979 |
Dykstra CE. Perfect pairing valence bond generalization of self-consistent electron pair theory The Journal of Chemical Physics. 72: 2928-2935. DOI: 10.1063/1.439492 |
0.336 |
|
| 1979 |
Parsons CA, Dykstra CE. Electron correlation and basis set effects in unimolecular reactions. A study of the model rearrangement system N2H2 The Journal of Chemical Physics. 71: 3025. DOI: 10.1063/1.438708 |
0.362 |
|
| 1979 |
Dykstra CE, Swope WC. The H3 + potential surface The Journal of Chemical Physics. 70: 1-3. DOI: 10.1063/1.437223 |
0.611 |
|
| 1978 |
Dykstra CE. An ab initio study of the energies and structures of ketene, oxirene, and ethynol The Journal of Chemical Physics. 68: 4244-4247. DOI: 10.1063/1.436291 |
0.4 |
|
| 1978 |
Dykstra CE, Schaefer HF. The vinylidene-acetylene rearrangement. A self-consistent electron pairs study of a model unimolecular reaction Journal of the American Chemical Society. 100: 1378-1382. DOI: 10.1021/Ja00473A009 |
0.4 |
|
| 1977 |
Dykstra CE, Gaylord AS, Gwinn WD, Swope WC, Schaefer HF. The uncoupled symmetric stretching frequency of H3 + The Journal of Chemical Physics. 68: 3951-3952. DOI: 10.1063/1.436175 |
0.628 |
|
| 1977 |
Dykstra CE. Inclusion of some higher order effects with the self-consistent electron pairs method for correlated molecular wavefunctions The Journal of Chemical Physics. 68: 1829-1834. DOI: 10.1063/1.435902 |
0.356 |
|
| 1977 |
Dykstra CE, Lucchese RR, Schaefer HF. Electron correlation effects on the excitation energies of the lowest triplet states of glyoxal The Journal of Chemical Physics. 67: 2422-2426. DOI: 10.1063/1.435214 |
0.336 |
|
| 1977 |
Dykstra CE. Self-consistent electron pair theory for certain types of open shell wavefunctions The Journal of Chemical Physics. 67: 4716-4718. DOI: 10.1063/1.434640 |
0.35 |
|
| 1977 |
Dykstra CE. Internal rotation in the ground electronic state of allene Journal of the American Chemical Society. 99: 2060-2063. DOI: 10.1021/Ja00449A008 |
0.36 |
|
| 1977 |
Lucchese RR, Schaefer HF, Dykstra CE. Excitation energies of the n → π* 3A″ and π → π* 3A′ states of acrolein Chemical Physics Letters. 51: 600-602. DOI: 10.1016/0009-2614(77)85433-X |
0.36 |
|
| 1976 |
Dykstra CE, Schaefer HF, Meyer W. A theory of self-consistent electron pairs. Computational methods and preliminary applications The Journal of Chemical Physics. 65: 2740-2750. DOI: 10.1063/1.433418 |
0.387 |
|
| 1976 |
Dykstra CE, Schaefer HF, Meyer W. Electron correlation in small metal clusters. Application of a theory of self‐consistent electron pairs to the Be4system The Journal of Chemical Physics. 65: 5141-5146. DOI: 10.1063/1.433055 |
0.391 |
|
| 1976 |
Dykstra CE. Molecular structure of acrolein electronic states Journal of the American Chemical Society. 98: 7182-7187. DOI: 10.1021/Ja00439A012 |
0.33 |
|
| 1976 |
Dykstra CE, Schaefer HF. Excited electronic states of ketene Journal of the American Chemical Society. 98: 2689-2695. DOI: 10.1021/Ja00426A001 |
0.316 |
|
| 1976 |
Dykstra CE, Schaefer HF. Electronic structure of dicarbonyls. Glyoxal excited states Journal of the American Chemical Society. 98: 401-406. DOI: 10.1021/Ja00418A014 |
0.315 |
|
| 1975 |
Dykstra CE, Schaefer HF. Electronic structure of dicarbonyls. The ground state of glyoxal Journal of the American Chemical Society. 97: 7210-7215. DOI: 10.1021/Ja00858A002 |
0.398 |
|
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