Year |
Citation |
Score |
2009 |
Ueno-Noto K, Marynick DS. A comparative computational study of matrix-peptide interactions in MALDI mass spectrometry: the interaction of four tripeptides with the MALDI matrices 2,5-dihyroxybenzoic acid, α-cyano-4-hydroxy-cinnamic acid and 3,5-dihyroxybenzoic acid Molecular Physics. 107: 777-788. DOI: 10.1080/00268970802637828 |
0.359 |
|
2006 |
Kinsel GR, Yao D, Yassin FH, Marynick DS. Equilibrium conditions in laser-desorbed plumes: thermodynamic properties of alpha-cyano-4-hydroxycinnamic acid and protonation of amino acids. European Journal of Mass Spectrometry (Chichester, England). 12: 359-67. PMID 17404426 DOI: 10.1255/Ejms.821 |
0.743 |
|
2006 |
Yassin FH, Marynick DS. Computational study of matrix-peptide interactions in MALDI mass spectrometry: Interactions of 2,5- and 3,5-dihydroxybenzoic acid with the tripeptide valine-proline-leucine. The Journal of Physical Chemistry. A. 110: 3820-5. PMID 16526668 DOI: 10.1021/Jp058257C |
0.744 |
|
2006 |
Yassin FH, Marynick DS. A computational study of the thermodynamic properties of sinapic and ferulic acids and their corresponding radical cations Journal of Molecular Structure: Theochem. 766: 137-141. DOI: 10.1016/J.Theochem.2006.04.004 |
0.76 |
|
2005 |
Zeng H, Schelly ZA, Ueno-Noto K, Marynick DS. Density functional study of the structures of lead sulfide clusters (PbS)n (n = 1-9). The Journal of Physical Chemistry. A. 109: 1616-20. PMID 16833485 DOI: 10.1021/Jp040457L |
0.324 |
|
2004 |
Kinsel GR, Zhao Q, Narayanasamy J, Yassin F, Dias HVR, Niesner B, Prater K, Marie CS, Ly L, Marynick DS. Arginine/2,5-Dihydroxybenzoic Acid Clusters: An Experimental and Computational Study of the Gas-Phase and Solid-State Systems Journal of Physical Chemistry A. 108: 3153-3161. DOI: 10.1021/Jp031207S |
0.756 |
|
2003 |
Archibong EF, Marynick DS. A computational study of the electron detachment energies of Al2As2 − and Al3As3 − Molecular Physics. 101: 2785-2792. DOI: 10.1080/0026897031000108014 |
0.332 |
|
2003 |
Yassin FH, Marynick DS. Computational estimates of the gas-phase acidities of dihydroxybenzoic acid radical cations and their corresponding neutral species Journal of Molecular Structure: Theochem. 629: 223-235. DOI: 10.1016/S0166-1280(03)00193-3 |
0.752 |
|
2002 |
Kinsel GR, Knochenmuss R, Setz P, Land CM, Goh SK, Archibong EF, Hardesty JH, Marynick DS. Ionization energy reductions in small 2,5-dihydroxybenzoic acid-proline clusters. Journal of Mass Spectrometry : Jms. 37: 1131-40. PMID 12447889 DOI: 10.1002/Jms.374 |
0.353 |
|
2002 |
Archibong EF, St-Amant A, Goh SK, Marynick D. Structure and Electron Detachment Energies of Al3P - and Al3P3- Journal of Physical Chemistry A. 106: 5932-5937. DOI: 10.1021/Jp014669J |
0.31 |
|
2002 |
Hardesty J, Goh SK, Marynick DS. A comparative DFT-MP2 study of the Creutz-Taube ion and related systems Journal of Molecular Structure: Theochem. 588: 223-226. DOI: 10.1016/S0166-1280(02)00143-4 |
0.343 |
|
2001 |
Goh S, Marynick DS. Ability of fullerenes to act as ?6 ligands in transition metal complexes. A comparative PM3(tm)-density functional theory study Journal of Computational Chemistry. 22: 1881-1886. DOI: 10.1002/Jcc.1138 |
0.329 |
|
2000 |
Zhang H, Schelly ZA, Marynick DS. Theoretical study of the molecular and electronic structures of neutral silver bromide clusters (AgBr)n, n = 1-9 Journal of Physical Chemistry A. 104: 6287-6294. DOI: 10.1021/Jp000099W |
0.339 |
|
1999 |
Sun W, Kinsel GR, Marynick DS. Computational estimates of the gas-phase basicity and proton affinity of glutamic acid Journal of Physical Chemistry A. 103: 4113-4117. DOI: 10.1021/Jp9908101 |
0.403 |
|
1998 |
Cervantes-Lee F, Sharma HK, Pannell KH, Derecskei-Kovacs A, Marynick DS. Conformational preferences of 1,3-diferrocenyl-1,1,3,3-tetramethyldisiloxane and its cocrystal with ferrocene: A theoretical and crystallographic study of the role of intra- and intermolecular interactions Organometallics. 17: 3701-3706. DOI: 10.1021/Om970776H |
0.323 |
|
1998 |
Mire LW, Wheeler SD, Wagenseller E, Marynick DS. The Application of Density Functional Theory to Four Problems in Inorganic Chemistry: A Comparison to Traditional ab Initio Methods Inorganic Chemistry. 37: 3099-3106. DOI: 10.1021/Ic971230Q |
0.315 |
|
1996 |
Marynick DS, Hawkins C. C3Li4 Revisited: A Theoretical Study Organometallics. 15: 882-883. DOI: 10.1021/Om950563X |
0.309 |
|
1995 |
Wall LL, Dias H, Marynick DS. Potentially stable carbenes: a theoretical study of pyrazol-ylidenes Journal of Molecular Structure: Theochem. 342: 115-120. DOI: 10.1016/0166-1280(95)90097-7 |
0.36 |
|
1994 |
Elsenbaumer RL, Marynick DS, Seong S, Meline RL. Sulfur containing conjugated polymers with interesting electronic properties Materials Research Society Symposium Proceedings. 328: 221-225. DOI: 10.1557/Proc-328-221 |
0.335 |
|
1994 |
Derecskei-Kovacs A, Marynick DS. The performance of a variety of density functional and ab initio methods on the structural problem of beryllium borohydride Chemical Physics Letters. 228: 252-258. DOI: 10.1016/0009-2614(94)00920-1 |
0.315 |
|
1993 |
Rogers JR, Marynick DS. Theoretical estimates of the η6 bonding capability of buckminsterfullerene in transition metal complexes Chemical Physics Letters. 205: 197-199. DOI: 10.1016/0009-2614(93)89229-B |
0.315 |
|
1992 |
Woon DE, Marynick DS, Estreicher SK. Titanium and copper in Si: Barriers for diffusion and interactions with hydrogen Physical Review B. 45: 13383-13389. DOI: 10.1103/Physrevb.45.13383 |
0.325 |
|
1992 |
Hong SY, Marynick DS. Understanding the conformational stability and electronic structures of modified polymers based on polythiophene Macromolecules. 25: 4652-4657. DOI: 10.1021/Ma00044A029 |
0.315 |
|
1992 |
Hong SY, Marynick DS. Theoretical study of the conformations and electronic structures of phenylene-pyrrole and phenylene-furan copolymers Macromolecules. 25: 3591-3595. DOI: 10.1021/Ma00039A045 |
0.328 |
|
1992 |
Jolly CA, Marynick DS. Electronic structure of the polyatomic Zintl anion Sb3- 7. A scattered-wave Xα study Journal of Molecular Structure: Theochem. 253: 9-16. DOI: 10.1016/0166-1280(92)87093-F |
0.351 |
|
1991 |
Ruiz JP, Child AD, Nayak K, Marynick DS, Reynolds JR. Electrically conducting polymers containing substituted phenylene and heterocycle repeat units Synthetic Metals. 41: 783-788. DOI: 10.1016/0379-6779(91)91497-X |
0.329 |
|
1990 |
Jolly CA, Chan F, Marynick DS. Calculated inversion barriers and proton affinities for P(CH3)3 and P(C6H5)3 Chemical Physics Letters. 174: 320-324. DOI: 10.1016/0009-2614(90)85353-E |
0.337 |
|
1990 |
Andrea TA, Stranz DD, Yang A, Kleier DA, Patel KM, Powell JE, Price TP, Marynick DS. Conformational and intramolecular hydrogen bonding effects on post-emergence and pre-emergence selectivities of herbicidal pyrrole dicarboxylates Pesticide Science. 28: 49-68. DOI: 10.1002/Ps.2780280108 |
0.307 |
|
1989 |
Hansen LM, Marynick DS. A molecular orbital study of conformational preferences of the cyclopentadienyl ligand in titanium(IV) and titanium(III) complexes Organometallics. 8: 2173-2179. DOI: 10.1021/Om00111A013 |
0.308 |
|
1989 |
Jolly CA, Marynick DS. The direct insertion mechanism in Ziegler-Natta polymerization: a theoretical study of Cp2TiCH3+ + C2H4 .fwdarw. Cp2TiC3H7+ Journal of the American Chemical Society. 111: 7968-7974. DOI: 10.1021/Ja00202A043 |
0.338 |
|
1989 |
Jolly CA, Marynick DS. Ground-state geometries and inversion barriers for simple complexes of early transition metals Inorganic Chemistry. 28: 2893-2895. DOI: 10.1021/Ic00313A038 |
0.306 |
|
1988 |
Arratia-Perez R, Marynick DS. Paramagnetic resonance hyperfine structure of hexachloroprotactinate(IV). Physical Review B. 37: 4893-4899. PMID 9943660 DOI: 10.1103/Physrevb.37.4893 |
0.509 |
|
1988 |
Axe FU, Marynick DS. Relationships between bonding and structures in tetranuclear heteroatomic Zintl anions containing 20 valence electrons Inorganic Chemistry. 27: 1426-1431. DOI: 10.1021/Ic00281A026 |
0.324 |
|
1987 |
Arratia‐Perez R, Marynick DS. Molecular hyperfine interactions in Ag(CO)3 Journal of Chemical Physics. 87: 4644-4650. DOI: 10.1063/1.452827 |
0.318 |
|
1987 |
Arratia-Perez R, Axe FU, Marynick DS. Geometry, bonding and optical and magnetic properties of copper tricarbonyl: a theoretical study The Journal of Physical Chemistry. 91: 5177-5183. DOI: 10.1021/J100304A011 |
0.528 |
|
1986 |
Tsai EW, Throckmorton L, McKellar R, Baar M, Kluba M, Marynick DS, Rajeshwar K, Ternay AL. Electrochemistry of thioxanthene, thioxanthone and related compounds in acetonitrile. Substituent effects and correlation of electrochemical behavior with molecular orbital calculations Journal of Electroanalytical Chemistry. 210: 45-67. DOI: 10.1016/0022-0728(86)90314-1 |
0.334 |
|
1986 |
Marynick DS, Estreicher S. Localized molecular orbitals and electronic structure of buckminsterfullerene Chemical Physics Letters. 132: 383-386. DOI: 10.1016/0009-2614(86)80630-3 |
0.352 |
|
1985 |
Brown KL, Ramamurthy S, Marynick DS. Mechanism of acid-induced decomposition of 2-hydroxyethyl- and 2-alkoxyethyl-cobaloximes Journal of Organometallic Chemistry. 287: 377-394. DOI: 10.1016/0022-328X(85)80092-9 |
0.348 |
|
1985 |
Marynick DS, Ray AK, Fry JL. Electronic structure calculations on RNO2 species, R = H, CH3, NH2, HO, and F Chemical Physics Letters. 116: 429-433. DOI: 10.1016/0009-2614(85)80198-6 |
0.331 |
|
1985 |
Throckmorton L, Marynick DS. Systematic errors in the total energy of molecular wave functions calculated within the PRDDO approximations Journal of Computational Chemistry. 6: 652-655. DOI: 10.1002/Jcc.540060619 |
0.31 |
|
1985 |
Kirkpatrick CM, Marynick DS. Localized molecular orbital studies of transition metal complexes. II: Simple ?-accepting ligands Journal of Computational Chemistry. 6: 142-147. DOI: 10.1002/Jcc.540060208 |
0.316 |
|
1984 |
Axe FU, Marynick DS. Structure, conformation, and ligand binding in ethyleneiron tetracarbonyl and some derivatives. A theoretical study Journal of the American Chemical Society. 106: 6230-6235. DOI: 10.1021/Ja00333A019 |
0.301 |
|
1984 |
Marynick DS, Ray AK, Fry JL, Kleier DA. The electronic structure of nitromethane A multiconfiguration self-consistent field study Journal of Molecular Structure: Theochem. 108: 45-48. DOI: 10.1016/0166-1280(84)80098-6 |
0.336 |
|
1983 |
Brown KL, Hakimi JM, Marynick DS. C-13 and P-31 NMR studies of 13CN-cyanocobalamin in sulfuric acid-water mixtures Inorganica Chimica Acta. 79: 120-122. DOI: 10.1016/S0020-1693(00)95153-3 |
0.35 |
|
1982 |
Marynick DS. A theoretical study of the structures and inversion barriers of CF3− and SiF3− Journal of Molecular Structure-Theochem. 87: 161-168. DOI: 10.1016/0166-1280(82)80050-X |
0.341 |
|
1980 |
Marynick DS. The inversion barriers of NF3, NCl3, PF3, and PCl3. A theoretical study Journal of Chemical Physics. 73: 3939-3943. DOI: 10.1063/1.440579 |
0.355 |
|
1980 |
Marynick DS. Calculated inversion barrier of AsF3 Chemical Physics Letters. 71: 101-103. DOI: 10.1016/0009-2614(80)85298-5 |
0.329 |
|
1980 |
Marynick DS. A Theoretical study of the structure and inversion barrier of PLi3 Chemical Physics Letters. 75: 550-552. DOI: 10.1016/0009-2614(80)80575-6 |
0.348 |
|
1976 |
Marynick DS. Beryllium borohydride: C3v or D3d ? The Journal of Chemical Physics. 64: 3080-3081. DOI: 10.1063/1.432573 |
0.355 |
|
1969 |
Marynick D, Onak T. A correlation of nuclear magnetic resonance chemical shifts in pyramidal boron compounds using a conical ring current model Journal of the Chemical Society a: Inorganic, Physical, Theoretical. 1797-1801. DOI: 10.1039/J19690001797 |
0.323 |
|
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