| Year |
Citation |
Score |
| 2009 |
Jones LF, Shillady DD, Duong A, Kier LB. A multiconfigurational molecular orbital study of N-methyl oxatriazole International Journal of Quantum Chemistry. 36: 465-471. DOI: 10.1002/Qua.560360848 |
0.389 |
|
| 2003 |
Shillady DD, Castevens CM, Trindle C, Sulik J, Klonowski P. Conformational complexity of melatonin in water and methanol. Biophysical Chemistry. 105: 471-94. PMID 14499912 DOI: 10.1016/S0301-4622(03)00109-1 |
0.354 |
|
| 2002 |
Shillady DD, Craig J, Rutan S, Rao B. Explicitly correlated SCF study of anharmonic vibrations in (H2O)2 International Journal of Quantum Chemistry. 90: 1414-1420. DOI: 10.1002/Qua.10348 |
0.355 |
|
| 2001 |
Trindle C, Shillady D, Craig J, Rutan S. Dye Probes of Nanoclusters in Liquids Journal of Cluster Science. 12: 473-486. DOI: 10.1023/A:1012879430356 |
0.399 |
|
| 2001 |
Shillady DD, Craig J, Rutan S. Explicitly correlated SCF study of small hydrides International Journal of Quantum Chemistry. 85: 520-528. DOI: 10.1002/Qua.1511 |
0.333 |
|
| 2000 |
Santilli RM, Shillady DD. New isochemical model of the water molecule International Journal of Hydrogen Energy. 25: 173-183. DOI: 10.1016/S0360-3199(99)00021-X |
0.365 |
|
| 1999 |
Santilli RM, Shillady DD. New iso-chemical model of the hydrogen molecule International Journal of Hydrogen Energy. 24: 943-956. DOI: 10.1016/S0360-3199(98)00133-5 |
0.339 |
|
| 1994 |
Zhang NR, Shillady DD. Ab initio equilibrium constants for H2O–H2O and H2O–CO2 Journal of Chemical Physics. 100: 5230-5236. DOI: 10.1063/1.467187 |
0.336 |
|
| 1990 |
Shillady DD, Cutler S, Jones LF, Kier LB. A molecular orbital valence bond study of 3‐methyl sydnone and 3‐methyl pseudosydnone International Journal of Quantum Chemistry. 38: 153-166. DOI: 10.1002/Qua.560382418 |
0.378 |
|
| 1988 |
Shillady DD, Jena P, Rao BK, Press MR. Theoretical study of the geometry of Mn5 International Journal of Quantum Chemistry. 34: 231-236. DOI: 10.1002/Qua.560340827 |
0.314 |
|
| 1987 |
Guner OF, Shillady DD, Ottenbrite RM, Rao BK, Yurtsever E. Pair‐excitation MCSCF treatment of small molecules in an optimized Slater–Transform–Preuss basis set International Journal of Quantum Chemistry. 32: 551-562. DOI: 10.1002/Qua.560320502 |
0.354 |
|
| 1984 |
Nguyen TT, Raychowdhury PN, Shillady DD. Application of an ion‐fitted pseudopotential to HF, H2O, NH3, BeO, and HCl in a Gaussian lobe basis Journal of Computational Chemistry. 5: 640-649. DOI: 10.1002/Jcc.540050618 |
0.381 |
|
| 1982 |
Shillady DD, Talley DB. Spherically symmetric axial Gaussian lobe 3d and 4f orbitals Journal of Computational Chemistry. 3: 130-134. DOI: 10.1002/Jcc.540030203 |
0.324 |
|
| 1979 |
Shillady DD, Baldwin‐Boisclair S. Dipole‐optimized gaussian orbitals for rapid computation of electrostatic molecular potential contour maps International Journal of Quantum Chemistry. 16: 105-114. DOI: 10.1002/Qua.560160708 |
0.311 |
|
| 1978 |
Badlwin-Biosclair S, Shillady DD. An improved CNDO/S study of the circular dichroism of 1-methylindan in the 275-170 nm region Chemical Physics Letters. 58: 405-408. DOI: 10.1016/0009-2614(78)85062-3 |
0.303 |
|
| 1976 |
Yurtsever E, Shillady D. A slater-transform-preuss (STP) wavefunction for the ground state of Be Chemical Physics Letters. 40: 447-450. DOI: 10.1016/0009-2614(76)85116-0 |
0.301 |
|
| 1976 |
Yurtsever E, Shillady D. Slater-transforms-preuss basis sets for He TO Ne and energies for H2, LiH and HF Chemical Physics Letters. 43: 20-22. DOI: 10.1016/0009-2614(76)80747-6 |
0.359 |
|
| 1976 |
Shillady DD, Trindle C. Semiempirical description of the C6H5N reactive intermediate in phenyl azide photolysis Theoretica Chimica Acta. 43: 137-144. DOI: 10.1007/Bf00547253 |
0.318 |
|
| 1975 |
Alston PV, Shillady DD, Trindle C. Semiempirical natural orbitals. CNDO/2-NO [natural orbital] and INDO-NO analysis of charge densities, dipole moments, and rotational barriers in small molecules Journal of the American Chemical Society. 97: 469-476. DOI: 10.1021/Ja00836A001 |
0.334 |
|
| 1975 |
Yurtsever E, Moreshead J, Shillady D. Semi-empirical natural orbital analysis of the bonding and rotational energy barrier in cyclopropylmethyl cation Chemical Physics Letters. 36: 365-368. DOI: 10.1016/0009-2614(75)80257-0 |
0.374 |
|
| 1975 |
Alston PV, Shillady DD, Trindle C. Semiempirical Natural Orbitals, Cndo/2-No And Indo-No Analysis Of Charge Densities, Dipole Moments And Rotational Barriers In Small Molecules (Aethylen, Hcho, Hcooh, Nh3 Und H2O) Cheminform. 6. DOI: 10.1002/Chin.197516103 |
0.337 |
|
| 1973 |
Kroll JA, Shillady DD. Electronic structure of aziridine-borane Journal of the American Chemical Society. 95: 1422-1425. DOI: 10.1021/Ja00786A011 |
0.387 |
|
| 1973 |
Trindle C, Shillady DD. Ab initio Gaussian lobe self-consistent field computations on the interconversion of ammonium oxide with hydroxylamine, and implications for the rearrangements of substituted hydroxylamines Journal of the American Chemical Society. 95: 703-707. DOI: 10.1021/Ja00784A010 |
0.33 |
|
| 1973 |
Shillady DD, Trindle C. Effects of chemical environment on the carbonyl group International Journal of Quantum Chemistry. 7: 269-278. DOI: 10.1002/Qua.560070733 |
0.322 |
|
| 1972 |
Shillady DD, Trindle C. The shapes of three hypervalent systems of first‐row atoms FH3, H4o, and F3H International Journal of Quantum Chemistry. 6: 187-200. DOI: 10.1002/Qua.560060620 |
0.382 |
|
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