Timothy James (T.J.) Clark, Ph.D. - Publications

Affiliations: 
1988-2010 University of California, Berkeley, Berkeley, CA 
Area:
art history, social history of art, gender studies

279 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Clark T, Hicks MG. Models of necessity. Beilstein Journal of Organic Chemistry. 16: 1649-1661. PMID 32733609 DOI: 10.3762/Bjoc.16.137  0.36
2020 Eberlein L, Beierlein FR, van Eikema Hommes NJR, Radadiya A, Heil J, Benner SA, Clark T, Kast SM, Richards NGJ. Tautomeric Equilibria of Nucleobases in the Hachimoji Expanded Genetic Alphabet. Journal of Chemical Theory and Computation. PMID 32125859 DOI: 10.1021/Acs.Jctc.9B01079  0.48
2020 Margraf JT, Hennemann M, Clark T. EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamics. Journal of Molecular Modeling. 26: 43. PMID 32009184 DOI: 10.1007/S00894-020-4293-Z  0.84
2019 Politzer P, Murray JS, Clark T. Explicit Inclusion of Polarizing Electric Fields in σ- and π-Hole Interactions. The Journal of Physical Chemistry. A. PMID 31647237 DOI: 10.1021/Acs.Jpca.9B08750  0.48
2019 Traeg J, Duchstein P, Hennemann M, Clark T, Guldi DM, Zahn D. Size-Dependent Local Ordering in Melanin Aggregates and Its Implication on Optical Properties. The Journal of Physical Chemistry. A. PMID 31600441 DOI: 10.1021/Acs.Jpca.9B08722  0.84
2019 Ibrahim P, Wifling D, Clark T. A universal activation index for class A GPCRs. Journal of Chemical Information and Modeling. PMID 31448910 DOI: 10.1021/Acs.Jcim.9B00604  0.4
2019 Kriebel M, Heßelmann A, Hennemann M, Clark T. Correction to: The Feynman dispersion correction for MNDO extended to F, Cl, Br and I. Journal of Molecular Modeling. 25: 257. PMID 31385053 DOI: 10.1007/S00894-019-4142-0  0.84
2019 Kriebel M, Heßelmann A, Hennemann M, Clark T. The Feynman dispersion correction for MNDO extended to F, Cl, Br and I. Journal of Molecular Modeling. 25: 156. PMID 31079256 DOI: 10.1007/S00894-019-4038-Z  0.84
2018 Fritsch N, Wick CR, Waidmann T, Pflock S, Dral PO, Tucher J, Steiner C, Shubina TE, Maier S, Clark T, Burzlaff N. 1D Chains of Diruthenium Tetracarbonyl Sawhorse Complexes European Journal of Inorganic Chemistry. 2018: 54-61. DOI: 10.1002/Ejic.201701246  1
2017 Politzer P, Murray JS, Clark T, Resnati G. The σ-hole revisited. Physical Chemistry Chemical Physics : Pccp. 19: 32166-32178. PMID 29199313 DOI: 10.1039/C7Cp06793C  0.48
2017 Aakeröy CB, Alavi S, Beyeh NK, Brammer L, Branca M, Bryce DL, Christopherson JC, Clark T, Cottrell SJ, Del Bene JE, Dichiarante V, Edwards AJ, Erdelyi M, Esterhuysen C, Fourmigué M, et al. Solid-state chemistry and applications: general discussion. Faraday Discussions. PMID 28967659 DOI: 10.1039/C7Fd90064C  0.48
2017 Aakeröy CB, Alavi S, Brammer L, Bryce DL, Clark T, Del Bene JE, Edwards AJ, Esterhuysen C, Guru Row TN, Kennepohl P, Legon AC, Lloyd GO, Murray JS, Pennington WT, Politzer P, et al. Computational approaches and sigma-hole interactions: general discussion. Faraday Discussions. PMID 28960014 DOI: 10.1039/C7Fd90061A  0.48
2017 Thomas HB, Hennemann M, Kibies P, Hoffgaard F, Gussregen S, Hessler G, Kast SM, Clark T. The hpCADD NDDO-Hamiltonian: Parameterization. Journal of Chemical Information and Modeling. PMID 28700231 DOI: 10.1021/Acs.Jcim.7B00080  0.84
2017 Clark T. Odd-Electron Bonds. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28544253 DOI: 10.1002/Cphc.201700417  0.96
2017 Sommer T, Hübner H, El Kerdawy A, Gmeiner P, Pischetsrieder M, Clark T. Identification of the Beer Component Hordenine as Food-Derived Dopamine D2 Receptor Agonist by Virtual Screening a 3D Compound Database. Scientific Reports. 7: 44201. PMID 28281694 DOI: 10.1038/Srep44201  0.8
2016 Beierlein FR, Paradas Palomo M, Sharapa DI, Zozulia O, Mokhir A, Clark T. DNA-Dye-Conjugates: Conformations and Spectra of Fluorescence Probes. Plos One. 11: e0160229. PMID 27467071 DOI: 10.1371/Journal.Pone.0160229  0.48
2015 Margraf JT, Hennemann M, Meyer B, Clark T. EMPIRE: a highly parallel semiempirical molecular orbital program: 2: periodic boundary conditions. Journal of Molecular Modeling. 21: 144. PMID 25983105 DOI: 10.1007/S00894-015-2692-3  1
2015 Politzer P, Murray JS, Clark T. Mathematical modeling and physical reality in noncovalent interactions. Journal of Molecular Modeling. 21: 52. PMID 25697332 DOI: 10.1007/S00894-015-2585-5  1
2015 Politzer P, Murray JS, Clark T. σ-Hole bonding: a physical interpretation. Topics in Current Chemistry. 358: 19-42. PMID 25467532 DOI: 10.1007/128_2014_568  1
2015 Clark T. Simulating charge transport in flexible systems Perspectives On Science. 6: 58-65. DOI: 10.1016/J.Pisc.2015.06.003  1
2015 Clark T, Politzer P, Murray JS. Correct electrostatic treatment of noncovalent interactions: The importance of polarization Wiley Interdisciplinary Reviews: Computational Molecular Science. 5: 169-177. DOI: 10.1002/Wcms.1210  1
2014 Fritsch N, Wick CR, Waidmann T, Dral PO, Tucher J, Heinemann FW, Shubina TE, Clark T, Burzlaff N. Multiply bonded metal(II) acetate (rhodium, ruthenium, and molybdenum) complexes with the trans-1,2-bis(N-methylimidazol-2-yl)ethylene ligand. Inorganic Chemistry. 53: 12305-14. PMID 25393757 DOI: 10.1021/Ic501435A  0.84
2014 Hennemann M, Clark T. EMPIRE: a highly parallel semiempirical molecular orbital program: 1: self-consistent field calculations. Journal of Molecular Modeling. 20: 2331. PMID 24944094 DOI: 10.1007/S00894-014-2331-4  0.84
2014 Elkerdawy A, Güssregen S, Matter H, Hennemann M, Clark T. Quantum-mechanics-based molecular interaction fields for 3D-QSAR. Journal of Cheminformatics. 6: O10. PMID 24765108 DOI: 10.1186/1758-2946-6-S1-O10  0.84
2014 Wick CR, Hennemann M, Stewart JJ, Clark T. Self-consistent field convergence for proteins: a comparison of full and localized-molecular-orbital schemes. Journal of Molecular Modeling. 20: 2159. PMID 24573500 DOI: 10.1007/S00894-014-2159-Y  0.84
2014 Thomas H, Hennemann M, Guessregen S, Clark T. Parameterization to NDDO-based polarizable force field Journal of Cheminformatics. 6: 53. DOI: 10.1186/1758-2946-6-S1-P53  1
2014 Clark T, Murray JS, Politzer P. Role of polarization in halogen bonds Australian Journal of Chemistry. 67: 451-456. DOI: 10.1071/Ch13531  1
2013 El Kerdawy A, Murray JS, Politzer P, Bleiziffer P, Heßelmann A, Görling A, Clark T. Directional Noncovalent Interactions: Repulsion and Dispersion. Journal of Chemical Theory and Computation. 9: 2264-75. PMID 26583720 DOI: 10.1021/Ct400185F  0.8
2013 El Kerdawy A, Tautermann CS, Clark T, Fox T. Economical and accurate protocol for calculating hydrogen-bond-acceptor strengths. Journal of Chemical Information and Modeling. 53: 3262-72. PMID 24289323 DOI: 10.1021/Ci4006222  0.8
2013 El Kerdawy A, Güssregen S, Matter H, Hennemann M, Clark T. Quantum mechanics-based properties for 3D-QSAR. Journal of Chemical Information and Modeling. 53: 1486-502. PMID 23692495 DOI: 10.1021/Ci400181B  0.84
2013 Schubert C, Wielopolski M, Mewes LH, de Miguel Rojas G, van der Pol C, Moss KC, Bryce MR, Moser JE, Clark T, Guldi DM. Precise control of intramolecular charge-transport: the interplay of distance and conformational effects. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 7575-86. PMID 23576309 DOI: 10.1002/Chem.201204055  0.52
2013 Politzer P, Murray JS, Clark T. Halogen bonding and other σ-hole interactions: a perspective. Physical Chemistry Chemical Physics : Pccp. 15: 11178-89. PMID 23450152 DOI: 10.1039/C3Cp00054K  0.48
2013 ż DBa, ż PWa, Clark T, Puzyn T, Pepłowski Ł, Nowak W. Statistical properties of spectra of chloronaphthalenes Journal of Mathematical Chemistry. 51: 857-867. DOI: 10.1007/S10910-012-0117-4  1
2012 Güssregen S, Matter H, Hessler G, Müller M, Schmidt KF, Clark T. 3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions Journal of Chemical Information and Modeling. 52: 2441-2453. PMID 22917472 DOI: 10.1021/Ci300253Z  0.8
2012 Kerdawy AE, Wick CR, Hennemann M, Clark T. Predicting the sites and energies of noncovalent intermolecular interactions using local properties. Journal of Chemical Information and Modeling. 52: 1061-1071. PMID 22458324 DOI: 10.1021/Ci300095X  0.84
2012 Özpınar GA, Beierlein FR, Peukert W, Zahn D, Clark T. A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals Journal of Molecular Modeling. 18: 3455-3466. PMID 22281810 DOI: 10.1007/S00894-011-1336-5  0.52
2012 Forfar LC, Clark TJ, Green M, Mansell SM, Russell CA, Sanguramath RA, Slattery JM. White phosphorus as a ligand for the coinage metals. Chemical Communications (Cambridge, England). 48: 1970-2. PMID 22234580 DOI: 10.1039/C2Cc15291F  1
2012 Hennemann M, Murray JS, Politzer P, Riley KE, Clark T. Polarization-induced σ-holes and hydrogen bonding. Journal of Molecular Modeling. 18: 2461-9. PMID 22015592 DOI: 10.1007/S00894-011-1263-5  1
2012 Murray JS, Lane P, Clark T, Riley KE, Politzer P. Σ-holes, π-holes and electrostatically-driven interactions. Journal of Molecular Modeling. 18: 541-8. PMID 21541742 DOI: 10.1007/S00894-011-1089-1  1
2012 Wick CR, Lanig H, Jäger CM, Burzlaff N, Clark T. Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study (Eur. J. Inorg. Chem. 31/2012) European Journal of Inorganic Chemistry. 2012. DOI: 10.1002/Ejic.201290098  1
2012 Wick CR, Lanig H, Jäger CM, Burzlaff N, Clark T. Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study† European Journal of Inorganic Chemistry. 2012: 4973-4985. DOI: 10.1002/Ejic.201200391  1
2011 Muehlbacher M, El Kerdawy A, Kramer C, Hudson B, Clark T. Conformation-dependent QSPR models: logPOW. Journal of Chemical Information and Modeling. 51: 2408-16. PMID 21842864 DOI: 10.1021/Ci200276V  0.8
2011 Ozpınar GA, Kaufmann DE, Clark T. Formation of the Vilsmeier-Haack complex: the performance of different levels of theory. Journal of Molecular Modeling. 17: 3209-17. PMID 21365228 DOI: 10.1007/S00894-010-0941-Z  0.56
2011 Kayi H, Clark T. AM1 parameters for palladium and silver. Journal of Molecular Modeling. 17: 2585-2600. PMID 21229370 DOI: 10.1007/S00894-010-0940-0  0.88
2011 Clark T. Predictive Modeling of Molecular Properties: Can We Go beyond Interpretation? Modeling of Molecular Properties. 91-106. DOI: 10.1002/9783527636402.ch7  1
2010 Ruppert M, Spänig F, Wielopolski M, Jäger CM, Bauer W, Clark T, Hirsch A, Guldi DM. Dendronizing and metalating trans-2 C60 tetraaryl porphyrins: a versatile approach toward water-soluble donor-acceptor conjugates Chemistry: a European Journal. 16: 10797-10807. PMID 20669192 DOI: 10.1002/Chem.201000760  0.8
2010 Rosenlehner K, Schade B, Böttcher C, Jäger CM, Clark T, Heinemann FW, Hirsch A. Sodium effect on self-organization of amphiphilic carboxylates: Formation of structured micelles and superlattices Chemistry - a European Journal. 16: 9544-9554. PMID 20658504 DOI: 10.1002/Chem.201001150  1
2010 Politzer P, Murray JS, Clark T. Halogen bonding: an electrostatically-driven highly directional noncovalent interaction. Physical Chemistry Chemical Physics : Pccp. 12: 7748-57. PMID 20571692 DOI: 10.1039/C004189K  1
2010 Clark T. Tautomers and reference 3D-structures: The orphans of in silico drug design Journal of Computer-Aided Molecular Design. 24: 605-611. PMID 20349114 DOI: 10.1007/S10822-010-9342-8  1
2010 Sloan ME, Staubitz A, Clark TJ, Russell CA, Lloyd-Jones GC, Manners I. Homogeneous catalytic dehydrocoupling/dehydrogenation of amine-borane adducts by early transition metal, group 4 metallocene complexes. Journal of the American Chemical Society. 132: 3831-41. PMID 20180565 DOI: 10.1021/Ja909535A  1
2010 Robertson NJ, Kostalik HA, Clark TJ, Mutolo PF, Abruña HD, Coates GW. Tunable high performance cross-linked alkaline anion exchange membranes for fuel cell applications. Journal of the American Chemical Society. 132: 3400-4. PMID 20178312 DOI: 10.1021/Ja908638D  1
2010 Özpınar GA, Peukert W, Clark T. An improved generalized AMBER force field (GAFF) for urea Journal of Molecular Modeling. 16: 1427-1440. PMID 20162312 DOI: 10.1007/S00894-010-0650-7  0.44
2010 Kramer C, Beck B, Clark T. A surface-integral model for log P OW. Journal of Chemical Information and Modeling. 50: 429-36. PMID 20108914 DOI: 10.1021/Ci900431F  0.6
2010 Kramer C, Beck B, Clark T. Insolubility classification with accurate prediction probabilities using a MetaClassifier. Journal of Chemical Information and Modeling. 50: 404-14. PMID 20088498 DOI: 10.1021/Ci900377E  0.6
2010 Clark T. The local electron affinity for non-minimal basis sets Journal of Molecular Modeling. 16: 1231-1238. PMID 20063173 DOI: 10.1007/S00894-009-0607-X  1
2010 Kayi H, Clark T. AM1* parameters for manganese and iron. Journal of Molecular Modeling. 16: 1109-1126. PMID 19937261 DOI: 10.1007/S00894-009-0614-Y  0.88
2010 O'Hair RA, Williams CM, Clark T. Neighboring group stabilization by sigma-holes. Journal of Molecular Modeling. 16: 559-65. PMID 19685250 DOI: 10.1007/S00894-009-0567-1  0.36
2010 Kayi H, Clark T. AM1* parameters for cobalt and nickel Journal of Molecular Modeling. 16: 29-47. PMID 19468762 DOI: 10.1007/S00894-009-0503-4  0.88
2010 Murray JS, Riley KE, Politzer P, Clark T. Directional weak intermolecular interactions: σ-hole bonding Australian Journal of Chemistry. 63: 1598-1607. DOI: 10.1071/Ch10259  1
2010 Kostalik HA, Clark TJ, Robertson NJ, Mutolo PF, Longo JM, Abruña HD, Coates GW. Solvent processable tetraalkylammonium-functionalized polyethylene for use as an alkaline anion exchange membrane Macromolecules. 43: 7147-7150. DOI: 10.1021/Ma101172A  1
2010 Eggers K, Heinemann FW, Hennemann M, Clark T, Binger P, Zenneck U. Unprecedented triphosphinine iron interactions: Intramolecular electron transfer, reactivity round a corner, and a low-activated ring element exchange reaction Comptes Rendus Chimie. 13: 1203-1212. DOI: 10.1016/J.Crci.2010.05.023  1
2009 Aronowitz JN, Gay HA, Clark TJ, Mota H, Bushe H. Identification and management of persistently active brachytherapy seed implants. Ajr. American Journal of Roentgenology. 193: W403-6. PMID 19843718 DOI: 10.2214/AJR.09.2868  1
2009 Clark TJ, Robertson NJ, Kostalik HA, Lobkovsky EB, Mutolo PF, Abruña HD, Coates GW. A ring-opening metathesis polymerization route to alkaline anion exchange membranes: development of hydroxide-conducting thin films from an ammonium-functionalized monomer. Journal of the American Chemical Society. 131: 12888-9. PMID 19697912 DOI: 10.1021/Ja905242R  1
2009 Kramer C, Heinisch T, Fligge T, Beck B, Clark T. A consistent dataset of kinetic solubilities for early-phase drug discovery. Chemmedchem. 4: 1529-36. PMID 19588473 DOI: 10.1002/Cmdc.200900205  0.6
2009 Tanrikulu Y, Proschak E, Werner T, Geppert T, Todoroff N, Klenner A, Kottke T, Sander K, Schneider E, Seifert R, Stark H, Clark T, Schneider G. Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor. Chemmedchem. 4: 820-7. PMID 19343764 DOI: 10.1002/Cmdc.200800443  1
2009 Kayi H, Clark T. AM1* parameters for vanadium and chromium Journal of Molecular Modeling. 15: 1253-1269. PMID 19322594 DOI: 10.1007/S00894-009-0489-Y  0.88
2009 Hennemann M, Friedl A, Lobell M, Keldenich J, Hillisch A, Clark T, Göller AH. CypScore: Quantitative prediction of reactivity toward cytochromes P450 based on semiempirical molecular orbital theory. Chemmedchem. 4: 657-669. PMID 19243088 DOI: 10.1002/Cmdc.200800384  0.84
2009 Sloan ME, Clark TJ, Manners I. Homogeneous catalytic dehydrogenation/dehydrocoupling of amine-borane adducts by the Rh(I) Wilkinson's complex analogue RhCl(PHCy2)3 (Cy = cyclohexyl). Inorganic Chemistry. 48: 2429-35. PMID 19222213 DOI: 10.1021/Ic801752K  1
2009 Jäger CM, Hennemann M, Clark T. The effect of a complexed lithium cation on a norcarane-based radical clock Chemistry: a European Journal. 15: 2425-2433. PMID 19156804 DOI: 10.1002/Chem.200801076  0.84
2009 Kramer C, Tautermann CS, Livingstone DJ, Salt DW, Whitley DC, Beck B, Clark T. Sharpening the toolbox of computational chemistry: a new approximation of critical f-values for multiple linear regression. Journal of Chemical Information and Modeling. 49: 28-34. PMID 19105731 DOI: 10.1021/Ci800318Q  0.6
2009 Kayi H, Clark T. AM1* parameters for bromine and iodine. Journal of Molecular Modeling. 15: 295-308. PMID 19057929 DOI: 10.1007/S00894-008-0419-4  0.88
2009 Murray JS, Toro-Labbé A, Clark T, Politzer P. Analysis of diatomic bond dissociation and formation in terms of the reaction force and the position-dependent reaction force constant. Journal of Molecular Modeling. 15: 701-6. PMID 19052782 DOI: 10.1007/S00894-008-0400-2  0.48
2008 Puchta R, Dahlenburg L, Clark T. Why do cationic hydridoiridium(III) complexes with beta-aminophosphane ligands favour the transfer hydrogenation of ketones over the direct "H2-hydrogenation"?--A computational approach. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 8898-903. PMID 18720495 DOI: 10.1002/Chem.200701921  0.32
2008 Lee K, Clark TJ, Lough AJ, Manners I. Synthesis and dehydrocoupling reactivity of iron and ruthenium phosphine-borane complexes. Dalton Transactions (Cambridge, England : 2003). 2732-40. PMID 18688405 DOI: 10.1039/B718918D  1
2008 Waters T, Boulton J, Clark T, Gallen MJ, Williams CM, O'Hair RA. Experimental determination of the gas phase proton affinities of the conjugate base anions of 2-iodoxybenzoic acid (IBX) and 2-iodosobenzoic acid (IBA). Organic & Biomolecular Chemistry. 6: 2530-3. PMID 18600274 DOI: 10.1039/B803452D  0.36
2008 Clark T, Murray JS, Lane P, Politzer P. Why are dimethyl sulfoxide and dimethyl sulfone such good solvents? Journal of Molecular Modeling. 14: 689-97. PMID 18458968 DOI: 10.1007/S00894-008-0279-Y  0.48
2008 Jakobi A, Mauser H, Clark T. ParaFrag--an approach for surface-based similarity comparison of molecular fragments. Journal of Molecular Modeling. 14: 547-558. PMID 18449578 DOI: 10.1007/S00894-008-0302-3  0.6
2008 Jäger CM, Hennemann M, Mieszała aA, Clark T. An ab initio and density functional theory study of radical-clock reactions. Journal of Organic Chemistry. 73: 1536-1545. PMID 18211091 DOI: 10.1021/Jo702421M  0.84
2008 Kramer C, Beck B, Kriegl JM, Clark T. A composite model for HERG blockade. Chemmedchem. 3: 254-65. PMID 18061919 DOI: 10.1002/Cmdc.200700221  0.6
2008 Hofmann M, Clark T, Heinemann FW, Zenneck U. Rock around the Ring: An Experimental and Theoretical Study of the Molecular Dynamics of Stannyltriphospholes with Chiral Tin Substituents European Journal of Inorganic Chemistry. 2008: 2225-2237. DOI: 10.1002/Ejic.200701321  1
2008 Kramer C, Beck B, Kriegl JM, Clark T. Cover Picture: A Composite Model for hERG Blockade (ChemMedChem 2/2008) Chemmedchem. 3: 193-193. DOI: 10.1002/Cmdc.200890004  1
2007 Clark TJ, Whittell GR, Manners I. Highly efficient colloidal cobalt- and rhodium-catalyzed hydrolysis of H3N.BH3 in air. Inorganic Chemistry. 46: 7522-7. PMID 17663545 DOI: 10.1021/Ic700806B  1
2007 Clark TJ, Jaska CA, Turak A, Lough AJ, Lu ZH, Manners I. Transition metal-catalyzed dissociation of phosphine-gallane adducts: isolation of mechanistic model complexes and heterogeneous catalyst poisoning studies. Inorganic Chemistry. 46: 7394-402. PMID 17663543 DOI: 10.1021/Ic700573J  1
2007 Murray JS, Lane P, Clark T, Politzer P. Sigma-hole bonding: molecules containing group VI atoms. Journal of Molecular Modeling. 13: 1033-8. PMID 17647029 DOI: 10.1007/S00894-007-0225-4  0.48
2007 Kayi H, Clark T. AM1* parameters for copper and zinc. Journal of Molecular Modeling. 13: 965-979. PMID 17569997 DOI: 10.1007/S00894-007-0214-7  0.88
2007 Clark T, Hennemann M, Murray JS, Politzer P. Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005. Journal of Molecular Modeling. 13: 291-6. PMID 16927107 DOI: 10.1007/S00894-006-0130-2  0.84
2007 Horn AH, Clark T. Multipole electrostatic potential derived atomic charges in NDDO-methods with spd-basis sets. Journal of Molecular Modeling. 13: 381-92. PMID 16924559 DOI: 10.1007/S00894-006-0137-8  0.68
2007 Clark TJ, Manners I. Transition metal-catalyzed dehydrocoupling of group 13-group 15 Lewis acid-base adducts Journal of Organometallic Chemistry. 692: 2849-2853. DOI: 10.1016/J.Jorganchem.2006.11.038  1
2006 Clark TJ, Lee K, Manners I. Transition-metal-catalyzed dehydrocoupling: a convenient route to bonds between main-group elements. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 8634-48. PMID 17103467 DOI: 10.1002/Chem.200600981  1
2006 Vanderark LA, Clark TJ, Rivard E, Manners I, Slootweg JC, Lammertsma K. Anionic ring-opening polymerization of a strained phosphirene: a route to polyvinylenephosphines. Chemical Communications (Cambridge, England). 3332-3. PMID 16883427 DOI: 10.1039/B606311J  1
2006 Clark TJ, Russell CA, Manners I. Homogeneous, titanocene-catalyzed dehydrocoupling of amine-borane adducts. Journal of the American Chemical Society. 128: 9582-3. PMID 16866483 DOI: 10.1021/Ja062217K  1
2006 Puchta R, Clark T, Bauer W. The formation of endo-complexes between calixarenes and amines--a reinvestigation. Journal of Molecular Modeling. 12: 739-47. PMID 16583198 DOI: 10.1007/S00894-005-0079-6  0.36
2006 Gallen MJ, Goumont R, Clark T, Terrier F, Williams CM. o-Iodoxybenzoic acid (IBX): pKa and proton-affinity analysis. Angewandte Chemie (International Ed. in English). 45: 2929-34. PMID 16566050 DOI: 10.1002/Anie.200504156  0.36
2006 Göller AH, Hennemann M, Keldenich J, Clark T. In Silico Prediction of Buffer Solubility Based on Quantum-Mechanical and HQSAR- and Topology-Based Descriptors Journal of Chemical Information and Modeling. 46: 648-658. PMID 16562995 DOI: 10.1021/Ci0503210  0.84
2006 Alex A, Hänsele E, Clark T. The ethylene/metal(0) and ethylene/metal(I) redox system: model ab initio calculations Journal of Molecular Modeling. 12: 621-629. PMID 16341719 DOI: 10.1007/S00894-005-0029-3  1
2006 Arsenault AC, Clark TJ, Von Freymann G, Cademartiri L, Sapienza R, Bertolotti J, Vekris E, Wong S, Kitaev V, Manners I, Wang RZ, John S, Wiersma D, Ozin GA. From colour fingerprinting to the control of photoluminescence in elastic photonic crystals Nature Materials. 5: 179-184. DOI: 10.1038/Nmat1588  1
2006 Martin B, Clark T. Dispersion treatment for NDDO‐based semiempirical MO techniques International Journal of Quantum Chemistry. 106: 1208-1216. DOI: 10.1002/Qua.20856  1
2005 Meindl K, Clark T. Conformations and tautomers of 5a,6-anhydrotetracycline. Journal of Physical Chemistry B. 109: 4279-4284. PMID 16851492 DOI: 10.1021/Jp0451039  0.56
2005 Winget P, Clark T. AM1* parameters for aluminum, silicon, titanium and zirconium Journal of Molecular Modeling. 11: 439-456. PMID 16133088 DOI: 10.1007/S00894-005-0236-Y  1
2005 Ehresmann B, Groot MJd, Clark T. Surface-integral QSPR models: local energy properties. Journal of Chemical Information and Modeling. 45: 1053-1060. PMID 16045301 DOI: 10.1021/Ci050025N  0.32
2005 Lin J, Clark T. An analytical, variable resolution, complete description of static molecules and their intermolecular binding properties. Journal of Chemical Information and Modeling. 45: 1010-1016. PMID 16045295 DOI: 10.1021/Ci050059V  0.44
2005 Clark TJ, Rodezno JM, Clendenning SB, Aouba S, Brodersen PM, Lough AJ, Ruda HE, Manners I. Rhodium-catalyzed dehydrocoupling of fluorinated phosphine-borane adducts: synthesis, characterization, and properties of cyclic and polymeric phosphinoboranes with electron-withdrawing substituents at phosphorus. Chemistry (Weinheim An Der Bergstrasse, Germany). 11: 4526-34. PMID 15900547 DOI: 10.1002/Chem.200401296  1
2005 Jaska CA, Clark TJ, Clendenning SB, Grozea D, Turak A, Lu ZH, Manners I. Poisoning of heterogeneous, late transition metal dehydrocoupling catalysts by boranes and other group 13 hydrides. Journal of the American Chemical Society. 127: 5116-24. PMID 15810846 DOI: 10.1021/Ja0447412  1
2005 Hommes NJRvE, Clark T. Regression formulae for ab initio and density functional calculated chemical shifts Journal of Molecular Modeling. 11: 175-185. PMID 15789224 DOI: 10.1007/S00894-004-0223-8  0.72
2005 Horn AHC, Lin J, Clark T. Multipole electrostatic model for MNDO-like techniques with minimal valence spd-basis sets Theoretical Chemistry Accounts. 114: 159-168. DOI: 10.1007/S00214-006-0167-4  1
2004 Nelsen SF, Weaver MN, Konradsson AE, Telo JP, Clark T. Electron transfer within 2,7-dinitronaphthalene radical anion. Journal of the American Chemical Society. 126: 15431-8. PMID 15563170 DOI: 10.1021/Ja046566V  0.4
2004 Ehresmann B, Groot MJd, Alex aA, Clark T. New molecular descriptors based on local properties at the molecular surface and a boiling-point model derived from them. Journal of Chemical Information and Computer Sciences. 44: 658-668. PMID 15032548 DOI: 10.1021/Ci034215E  0.32
2004 Clark TJ, Lough AJ, Chivers T, Manners I. 1,3,5-Trichloro-1 λ6,2,4,6-thiatriazin-1-one Acta Crystallographica Section E: Structure Reports Online. 60: o2402-o2403. DOI: 10.1107/S160053680402971X  1
2004 Trachta G, Schwarze B, Brehm G, Schneider S, Hennemann M, Clark T. Near‐infrared Fourier transform surface‐enhanced Raman scattering spectroscopy of 1,4‐benzodiazepine drugs employing gold films over nanospheres Journal of Raman Spectroscopy. 35: 368-383. DOI: 10.1002/Jrs.1154  1
2004 Winget P, Clark T. Enthalpies of Formation from B3LYP Calculations Journal of Computational Chemistry. 25: 725-733. DOI: 10.1002/Jcc.10398  1
2003 Ehresmann B, Martin B, Horn AH, Clark T. Local molecular properties and their use in predicting reactivity. Journal of Molecular Modeling. 9: 342-7. PMID 14517613 DOI: 10.1007/S00894-003-0153-X  0.68
2003 Winget P, Horn AHC, Selçuki C, Martin B, Clark T. AM1* parameters for phosphorus, sulfur and chlorine Journal of Molecular Modeling (Online). 9: 408-414. PMID 12955599 DOI: 10.1007/S00894-003-0156-7  1
2003 Horn AH, Clark T. Does metal ion complexation make radical clocks run fast? Journal of the American Chemical Society. 125: 2809-16. PMID 12603171 DOI: 10.1021/Ja020954K  0.68
2003 Chivers T, Clark TJ, Parvez M, Schatte G. Formation of a dimeric sulfito-bridged imidotin cubane by oxidation of (SnNBut)4 with so2 Dalton Transactions. 2107-2108. DOI: 10.1039/B302966B  1
2003 Winget P, Selçuki C, Horn AHC, Martin B, Clark T. Towards a "next generation" neglect of diatomic differential overlap based semiempirical molecular orbital technique Theoretical Chemistry Accounts. 110: 254-266. DOI: 10.1007/S00214-003-0454-2  1
2003 Erras-Hanauer H, Mao Z, Liehr G, Clark T, Eldik Rv. Structures of Carbonato and Bicarbonato Complexes of Bis(1,10‐phenanthroline)Zinc(II): Experiment and Theory European Journal of Inorganic Chemistry. 2003: 1562-1569. DOI: 10.1002/Ejic.200390204  1
2003 Chivers T, Clark TJ, Krahn M, Parvez M, Schatte G. Cubane complexes with two (or more) group 14-group 16 double bonds: Synthesis and X-ray structures of Sn4Se2(NtBu)4 and Ge4Se3(NtBu)4 European Journal of Inorganic Chemistry. 1857-1860. DOI: 10.1002/Ejic.200300075  1
2002 Topf C, Clark T, Heinemann FW, Hennemann M, Kummer S, Pritzkow H, Zenneck U. Ambiphilicity: A Characteristic Reactivity Principle of π‐Bound Phosphorus Heterocycles Angewandte Chemie. 41: 4047-4052. PMID 12412077 DOI: 10.1002/1521-3773(20021104)41:21<4047::Aid-Anie4047>3.0.Co;2-4  0.84
2002 Brüstle M, Beck B, Schindler T, King W, Mitchell T, Clark T. Descriptors, physical properties, and drug-likeness. Journal of Medicinal Chemistry. 45: 3345-3355. PMID 12139446 DOI: 10.1021/Jm011027B  0.6
2002 Hennemann M, Clark T. A QSPR-Approach to the Estimation of the pKHB of Six-Membered Nitrogen-Heterocycles using Quantum Mechanically Derived Descriptors Journal of Molecular Modeling. 8: 95-101. PMID 12111388 DOI: 10.1007/S00894-002-0075-Z  0.84
2002 Binger P, Clark T, Heinemann FW, Hennemann M, Pritzkow H, Topf C, Zenneck U. Intramolecular reactivity of π-coordinated P-heterocycles: How to form five-membered rings out of phosphaalkynes Phosphorus Sulfur and Silicon and the Related Elements. 177: 1523-1527. DOI: 10.1080/10426500212211  1
2002 Beck B, Clark T. Some Biological Applications of Semiempirical MO Theory Perspectives in Drug Discovery and Design. 131-159. DOI: 10.1023/A:1027259921634  1
2002 Nelsen SF, Reinhardt LA, Tran HQ, Clark T, Chen GF, Pappas RS, Williams F. Ionized bicyclo[2.2.2]oct-2-ene: A twisted olefinic radical cation showing vibronic coupling Chemistry - a European Journal. 8: 1074-1081. DOI: 10.1002/1521-3765(20020301)8:5<1074::AID-CHEM1074>3.0.CO;2-K  1
2001 Chalk AJ, Beck B, Clark T. A temperature-dependent quantum mechanical/neural net model for vapor pressure. Journal of Chemical Information and Computer Sciences. 41: 1053-1059. PMID 11500124 DOI: 10.1021/Ci0103222  0.6
2001 Chalk AJ, Beck B, Clark T. A quantum mechanical/neural net model for boiling points with error estimation. Journal of Chemical Information and Computer Sciences. 41: 457-462. PMID 11277737 DOI: 10.1021/Ci0004614  0.6
2000 Beck B, Breindl aA, Clark T. QM/NN QSPR models with error estimation: vapor pressure and logP Journal of Chemical Information and Computer Sciences. 40: 1046-1051. PMID 10955536 DOI: 10.1021/Ci990131N  0.6
2000 Clark T. Quo vadis semiempirical MO-theory? Journal of Molecular Structure: Theochem. 530: 1-10. DOI: 10.1016/S0166-1280(00)00581-9  1
2000 Gedeck P, Schindler T, Alex A, Clark T. New Multicentre Point Charge Models for Molecular Electrostatic Potentials from Semiempirical M0-Calculations Journal of Molecular Modeling. 6: 452-466. DOI: 10.1007/S0089400060452  1
2000 Martin B, Gedeck P, Clark T. Additive NDDO-based atomic polarizability model International Journal of Quantum Chemistry. 77: 473-497. DOI: 10.1002/(Sici)1097-461X(2000)77:1<473::Aid-Qua47>3.0.Co;2-4  1
1999 Schürer G, Gedeck P, Gottschalk M, Clark T. Accurate parametrized variational calculations of the molecular electronic polarizability by NDDO‐based methods International Journal of Quantum Chemistry. 75: 17-31. DOI: 10.1002/(Sici)1097-461X(1999)75:1<17::Aid-Qua3>3.0.Co;2-R  1
1998 Reindl B, Clark T, Schleyer PvR. Modern Molecular Mechanics and ab Initio Calculations on Benzylic and Cyclic Delocalized Cations Journal of Physical Chemistry A. 102: 8953-8963. DOI: 10.1021/Jp981406P  1
1998 Beck B, Horn AHC, Carpenter JE, Clark T. Enhanced 3D-Databases: A Fully Electrostatic Database of AM1-Optimized Structures Journal of Chemical Information and Computer Sciences. 38: 1214-1217. DOI: 10.1021/Ci9801318  1
1997 Mauser H, Hirsch A, Hommes NJRE, Clark T. Chemistry of Convex versus Concave Carbon: The Reactive Exterior and the Inert Interior of C60 Journal of Molecular Modeling. 3: 415-422. DOI: 10.1007/S008940050059  1
1997 Reindl B, Clark T, Schleyer PvR. Empirical force field and ab initio calculations on allyl cations Journal of Computational Chemistry. 18: 533-551. DOI: 10.1002/(Sici)1096-987X(199703)18:4<533::Aid-Jcc7>3.0.Co;2-U  1
1997 Reindl B, Clark T, Schleyer PvR. Empirical force‐field and ab initio calculations on delocalized open chain cations Journal of Computational Chemistry. 18: 28-44. DOI: 10.1002/(Sici)1096-987X(19970115)18:1<28::Aid-Jcc4>3.0.Co;2-1  1
1996 Beck B, Glen RC, Clark T. The inhibition of alpha-chymotrypsin predicted using theoretically derived molecular properties. Journal of Molecular Graphics. 14: 130-5, 142. PMID 8901640 DOI: 10.1016/S0263-7855(96)00041-0  0.6
1996 Hutter M, Clark T. On the Enhanced Stability of the Guanine−Cytosine Base-Pair Radical Cation Journal of the American Chemical Society. 118: 7574-7577. DOI: 10.1021/Ja953370+  1
1996 Clark T. Proceedings of 10th Molecular Modelling Workshop Darmstadt, Germany, May 14 - 15, 1996 Preface and Abstracts Journal of Molecular Modeling. 2: 251-277. DOI: 10.1007/S0089460020251  1
1996 Clark T. Ab initio calculations on electron-transfer catalysis by metal ions Topics in Current Chemistry. 177: 1-24. DOI: 10.1007/3-540-60110-4_1  1
1996 Clark T. Reviews in computational chemistry, vols. 6 and 7. Edited by K. B. Lipkowitz, D. B. Boyd, VCH, New York 1995, vol. 6: xix, 480 pp., hardcover, DM 175.00, ISBN 1‐56081‐667‐8; vol. 7: xxiv, 414 pp., hardcover, DM 176.00, ISBN 1‐56081‐915‐4 Advanced Materials. 8: 862-863. DOI: 10.1002/Adma.19960081024  1
1996 Reindl B, Clark T, Schleyer PvR. A new method for empirical force field calculations on localized and delocalized carbocations Journal of Computational Chemistry. 17: 1406-1430. DOI: 10.1002/(Sici)1096-987X(199609)17:12<1406::Aid-Jcc3>3.0.Co;2-O  1
1995 Lorenz M, Clark T. Investigation of Organolithium Dimerization on Irradiated CdS Powder Organometallics. 14: 2570-2574. DOI: 10.1021/Om00005A064  1
1995 El-Nahas AM, Clark T. AM1 and PM3 Calculations on the Effect of Substituents on the Stabilities of Carbocations in the Gas Phase and in Solution Journal of Organic Chemistry. 60: 8023-8027. DOI: 10.1021/Jo00129A049  1
1995 Clark T. Conference Proceedings: 9th Molecular Modeling Workshop Molecular Modeling Annual. 1: 79-122. DOI: 10.1007/S008940050009  1
1995 Clark T, Rauhut G, Breindl A. A Combined Semiempirical MO/Neural Net Technique for Estimating 13C Chemical Shifts Journal of Molecular Modeling. 1: 22-35. DOI: 10.1007/S008940050004  1
1995 Clark T, Gröppel M, Roth W. Polaron migration in doped polysilanes: am i calculations on the radical cation Si17(CH3)36+ Advanced Materials. 7: 927-929. DOI: 10.1002/Adma.19950071114  1
1994 Rauhut G, Clark T. Molecular orbital studies of electron-transfer reactions Journal of the Chemical Society, Faraday Transactions. 90: 1783-1788. DOI: 10.1039/Ft9949001783  1
1994 Clark T, Hofmann H. Model ab Initio Studies on Methane Oxidation and Ethylene Epoxidation by the Peroxy Radical Complexed to the Lithium Cation: Are Peroxy Radical Complexes Active Intermediates in Biological Oxidations? The Journal of Physical Chemistry. 98: 13797-13803. DOI: 10.1021/J100102A054  1
1994 Beck B, Rauhut G, Clark T. The natural atomic orbital point charge model for PM3: multipole moments and molecular electrostatic potentials Journal of Computational Chemistry. 15: 1064-1073. DOI: 10.1002/Jcc.540151003  1
1994 Roth W, Lorenz M, Clark T. Laser‐induced crosslinking of siloxanes: A semi‐empirical molecular orbital study Angewandte Makromolekulare Chemie. 215: 121-128. DOI: 10.1002/Apmc.1994.052150110  1
1994 Clark T. Telling titles. Shape in chemistry—an introduction to molecular shape and topology. By Paul G. Mezey, VCH, weinheim 1993, XI, 224pp., hardcover, DM 124.00, ISBN 3-527-27932-6 Advanced Materials. 6: 705-705. DOI: 10.1002/Adma.19940060922  1
1994 Clark T. Reviews in computational chemistry IV. Edited by K. B. Lipkowitz and D. B. Boyd, VCH Weinheim 1993, XIX, 280 pp., hardcover, DM 138, ISBN 3-527-89520-1 Advanced Materials. 6: 88-88. DOI: 10.1002/Adma.19940060126  1
1993 Kranz M, Clark T, Schleyer PvR. Rotational barriers of 1,1'-binaphthyls: a computational study Journal of Organic Chemistry. 58: 3317-3325. DOI: 10.1021/Jo00064A018  1
1993 Rauhut G, Clark T, Steinke T. A numerical self-consistent reaction field (SCRF) model for ground and excited states in NDDO-based methods Journal of the American Chemical Society. 115: 9174-9181. DOI: 10.1021/Ja00073A036  1
1993 Rauhut G, Clark T. Electron-transfer reactions : AM1 and ab initio studies on self-exchange in p-diaminobenzene systems Journal of the American Chemical Society. 115: 9127-9135. DOI: 10.1021/Ja00073A031  1
1993 Kranz M, Dietrich H, Mahdi W, Mueller G, Hampel F, Clark T, Hacker R, Neugebauer W, Kos AJ, Schleyer PvR. 1,5-Dilithiated arenes: double metal bridging verified by three X-ray structures and MNDO calculations Journal of the American Chemical Society. 115: 4698-4704. DOI: 10.1021/Ja00064A034  1
1993 Schimke G, Clark T. Estimation of the partition coefficients of organic compounds a neural network study in combination with semiempirical AM1 mo-calculations Journal of Molecular Graphics. 11: 65-66. DOI: 10.1016/0263-7855(93)85034-N  1
1993 Rauhut G, Clark T. High quality molecular electrostatic potentials from AM1 calculations Journal of Molecular Graphics. 11: 64. DOI: 10.1016/0263-7855(93)85032-L  1
1993 Rauhut G, Clark T. Multicenter point charge model for high-quality molecular electrostatic potentials from AM1 calculations Journal of Computational Chemistry. 14: 503-509. DOI: 10.1002/Jcc.540140502  1
1993 Onciul ARv, Clark T. Molecular orbital studies of enzyme mechanisms II: catalytic oxidation of alcohols by liver alcohol dehydrogenase Journal of Computational Chemistry. 14: 392-400. DOI: 10.1002/Jcc.540140403  1
1993 Clark T, Chandrasekhar J. NDDO-based CI methods for the prediction of electronic spectra and sum-over-states molecular hyperpolarization Israel Journal of Chemistry. 33: 435-448. DOI: 10.1002/Ijch.199300050  1
1992 Kranz M, Hampel F, Clark T. N-methyl-B-mesityldibenzo-1,4-azaborinine: the first experimental structure of a 1,4-azaborinine derivative Journal of the Chemical Society, Chemical Communications. 1247-1248. DOI: 10.1039/C39920001247  1
1992 Lorenz M, Clark T, Schleyer PVR, Neubauer K, Grampp G. An authentic ortho-quinodimethane radical anion Journal of the Chemical Society, Chemical Communications. 719-721. DOI: 10.1039/C39920000719  1
1992 Kranz M, Clark T. Azaborines: an ab initio study Journal of Organic Chemistry. 57: 5492-5500. DOI: 10.1021/Jo00046A035  1
1992 Alex A, Clark T. Catalysis of the ring-opening and isomerization of cyclopropane by complexation with metal radical cations : an ab initio study Journal of the American Chemical Society. 114: 10897-10902. DOI: 10.1021/Ja00053A028  1
1992 Alex A, Clark T. Catalysis of ethylene dimerization by complexation with metal radical cations: an ab initio study Journal of the American Chemical Society. 114: 506-510. DOI: 10.1021/Ja00028A016  1
1992 Alex A, Clark T. MO-studies of enzyme reaction mechanisms. I: Model molecular orbital study of the cleavage of peptides by carboxypeptidase A Journal of Computational Chemistry. 13: 704-717. DOI: 10.1002/Jcc.540130605  1
1991 Hänsele E, Clark T. Ab InitioSimulation of Electron-Transfer Reactions: The Reaction of Alkali-Metal Atoms with Ethylene Zeitschrift FüR Physikalische Chemie. 171: 21-31. DOI: 10.1524/Zpch.1991.171.Part_1.021  1
1991 Hofmann H, Clark T. Electrostatic catalysis of oxidation reactions by metal cations: an ab initio study Journal of the American Chemical Society. 113: 2422-2425. DOI: 10.1021/Ja00007A011  1
1990 Clark T. Can we predict reactivity using MO calculations Journal of Chemical Information and Computer Sciences. 30: 373-376. DOI: 10.1021/Ci00068A005  1
1990 Hofmann H, Clark T. Lithium‐Ion‐Catalyzed Epoxidation by Triplet Dioxygen: An ab initio Study Angewandte Chemie. 29: 648-650. DOI: 10.1002/Anie.199006481  1
1989 Onciul Av, Clark T. Enhanced hyperconjugation and facile 1,2-halogen shifts in metal cation complexes of 2-halogenoalkyl radicals: an Ab initio study Journal of the Chemical Society, Chemical Communications. 1082-1084. DOI: 10.1039/C39890001082  1
1989 Steinke T, Haensele E, Clark T. The solvent effect on the electronic nature of 1,3-dipoles: an ab initio SCRF study Journal of the American Chemical Society. 111: 9107-9109. DOI: 10.1021/Ja00207A021  1
1989 Clark T. Catalysis of closed-shell reactions by complexation with metal radical cations Journal of the American Chemical Society. 111: 761-763. DOI: 10.1021/Ja00184A071  1
1988 Reed AE, Clark T. A natural bond orbital analysis of the bonding in solvated electrons within a localised electron model Faraday Discussions of the Chemical Society. 85: 365-372. DOI: 10.1039/Dc9888500365  1
1988 Brix B, Clark T. Facile conversion of chloromethylated polystyrene to the lithium or potassium derivatives Journal of Organic Chemistry. 53: 3365-3366. DOI: 10.1021/Jo00249A047  1
1988 Clark T. Odd-electron .sigma. bonds Journal of the American Chemical Society. 110: 1672-1678. DOI: 10.1021/Ja00214A003  1
1988 Schoetz K, Clark T, Schleyer PvR. Relative ineffectiveness of longicyclic three-ribbon interactions in dications. Rearrangement products of benzobarrelene dications: an MNDO and experimental study Journal of the American Chemical Society. 110: 1394-1405. DOI: 10.1021/Ja00213A011  1
1988 Clark T, Nelsen SF. Twisting in alkyl-substituted olefin cation radicals Journal of the American Chemical Society. 110: 868-870. DOI: 10.1021/Ja00211A028  1
1987 Budzelaar PHM, Kos AJ, Clark T, Schleyer PvR. Additions and Corrections - Effects of Boron Substituents in Borirenes, Boriranes, and Boranes. The Energies of B-X Bonds Organometallics. 6: 684-684. DOI: 10.1021/Om00146A600  1
1987 Clark T. 1,3-Hydrogen shifts in olefin radical cations: an ab initio study Journal of the American Chemical Society. 109: 6838-6840. DOI: 10.1021/Ja00256A042  1
1987 Clark T, Teasley MF, Nelsen SF, Wynberg H. Optical absorption spectra of tetraalkyl olefin cation radicals Journal of the American Chemical Society. 109: 5719-5724. DOI: 10.1021/Ja00253A025  1
1987 Clark T, Illing G. Ab initio localized electron calculations on solvated electron structures Journal of the American Chemical Society. 109: 1013-1020. DOI: 10.1021/Ja00238A006  1
1987 Bauer W, Clark T, Schleyer PvR. The mechanism of directed second lithiations: detection of short proton-lithium separations by 6Li-1H HOESY (2D-heteronuclear Overhauser spectroscopy) Journal of the American Chemical Society. 109: 970-977. DOI: 10.1021/Ja00238A002  1
1986 Clark T. Radical addition to alkene-metal cation complexes Journal of the Chemical Society, Chemical Communications. 1774-1776. DOI: 10.1039/C39860001774  1
1986 Schleyer PvR, Clark T. The most stable SiH3Li structure is inverted Journal of the Chemical Society, Chemical Communications. 1371-1373. DOI: 10.1039/C39860001371  1
1986 Clark T, Courtneidge JL, Davies AG, Schötz K. The e.s.r. spectra and spin distributions of benzobarrelene radical cations Journal of the Chemical Society, Chemical Communications. 547-548. DOI: 10.1039/C39860000547  1
1986 Clark T, Symons MCR. Protonated β-halogenoethyl radicals Journal of the Chemical Society, Chemical Communications. 96-98. DOI: 10.1039/C39860000096  1
1986 Kaneti J, Schleyer PvR, Clark T, Kos AJ, Spitznagel GW, Andrade JG, Moffat JB. Structures and energies of the lithium, sodium, and magnesium derivatives of the anions CH2CN− and CH2NC−. Solvation and aggregation of the lithium species Journal of the American Chemical Society. 108: 1481-1492. DOI: 10.1021/Ja00267A018  1
1986 Kaneti J, Schleyer PVR, Clark T, Kos AJ, Spitznagel GW, Andrade JG, Moffat JB. Structures and Energies of the Lithium, Sodium, and Magnesium Derivatives of the Anions CH2CN-and CH2NC-. Cheminform. 17. DOI: 10.1002/Chin.198630057  1
1986 Schleyer PVR, Kaufmann E, Kos AJ, Clark T, Pople JA. 1,2-Dilithioethene Isomers and the Mechanisms of Their Interconversion. Cheminform. 17. DOI: 10.1002/Chin.198622250  1
1985 Clark T, Illing G. The reduction of chloroalkanes by alkali metals: a model ab intio study Journal of the Chemical Society, Chemical Communications. 529-530. DOI: 10.1039/C39850000529  1
1985 Budzelaar PHM, Kos AJ, Clark T, Schleyer PvR. Effects of boron substituents in borirenes, boriranes, and boranes. The energies of B−X bonds Organometallics. 4: 429-437. DOI: 10.1021/Om00122A001  1
1985 Clark T. The Diphosphine Radical Cation (P2H4+.Cntdot.) Journal of the American Chemical Society. 107: 2597-2599. DOI: 10.1021/Ja00295A005  1
1985 Schleyer PVR, Wilhelm D, Clark T. On the nature of the “cycloheptatrienyl trianion”: The decisive importance of counterion stabilization in polymetallated “carbanion” systems Journal of Organometallic Chemistry. 281. DOI: 10.1016/0022-328X(85)87127-8  1
1985 Wilhelm D, Clark T, Schleyer PvR, Dietrich H, Mahdi W. Double lithium bridging: The structure of 1,4-dilithio-1,4-diphenyl-cis-2-butene Journal of Organometallic Chemistry. 280. DOI: 10.1016/0022-328X(85)87074-1  1
1985 Clark T, Hasegawa A, Symons MCR. Matrix interactions for radical cations: Theoretical and experimental results for the trichlorofluoromethane matrix illustrated by 19F coupling for Me2Se+ radical cations Chemical Physics Letters. 116: 79-82. DOI: 10.1016/0009-2614(85)80129-9  1
1985 Wilhelm D, Dietrich H, Clark T, Mahdi W, Kos AJ, Schleyer PVR. Dilithium Tribenzylidenemethane-2-Tmeda: The First X-Ray Structure Of A Y-Conjugated Trimethylenemethane Dianion Derivative Cheminform. 16. DOI: 10.1002/Chin.198511073  1
1985 Schleyer PVR, Clark T, Kos AJ, Spitznagel GW, Rohde C, Arad D, Houk KN, Rondan NG. Structures and Stabilities of α-Hetero-Substituted Organolithium and Organosodium Compounds. Energetic Unimportance of Second-Row d-Orbital Effects. Cheminform. 16. DOI: 10.1002/Chin.198508055  1
1985 Stezowski JJ, Hoier H, Wilhelm D, Clark T, Von Ragué Schleyer P. The structure of an aromatic 10π electron 'dianion': Dilithium pentalenide Journal of the Chemical Society, Chemical Communications. 1263-1264.  1
1984 Dietrich H, Mahdi W, Schleyer PvR, Neugebauer W, Clark T, Wilhelm D, Boche G, Etzrodt H. New lithium organic structures and their interpretation Acta Crystallographica Section A. 40. DOI: 10.1107/S0108767384091315  1
1984 Courtneidge JL, Davies AG, Clark T, Wilhelm D. The electron spin resonance spectrum of the biphenyl radical cation Journal of the Chemical Society-Perkin Transactions 1. 15: 1197-1200. DOI: 10.1039/P29840001197  1
1984 Wilhelm D, Clark T, Schleyer PvR. Y-Conjugated dianions: a comparison between the 1,1-dibenzylethylene and diphenylacetone-derived dianions Journal of the Chemical Society-Perkin Transactions 1. 915-920. DOI: 10.1039/P29840000915  1
1984 Clark T. Condensed-phase radical anions Faraday Discussions of the Chemical Society. 78: 203-212. DOI: 10.1039/Dc9847800203  1
1984 Schleyer PvR, Kos AJ, Wilhelm D, Clark T, Boche G, Decher G, Etzrodt H, Dietrich H, Mahdi W. The influence of carbanion orbital orientation and charge distribution on the structures of polylithium compounds Journal of the Chemical Society, Chemical Communications. 1495-1496. DOI: 10.1039/C39840001495  1
1984 Wilhelm D, Courtneidge JL, Clark T, Davies AG. The pentalene radical anion Journal of the Chemical Society, Chemical Communications. 810-811. DOI: 10.1039/C39840000810  1
1984 Clark T. The oxirane radical cation Journal of the Chemical Society, Chemical Communications. 666-667. DOI: 10.1039/C39840000666  1
1984 Wilhelm D, Clark T, Schleyer PvR, Davies AG. Ring opening of a bicyclo[3.3.0]octadienediyl dianion Journal of the Chemical Society, Chemical Communications. 558-559. DOI: 10.1039/C39840000558  1
1984 Clark T. Dissociative electron capture by chloromethane in condensed phases Journal of the Chemical Society, Chemical Communications. 93-94. DOI: 10.1039/C39840000093  1
1984 Schoetz K, Clark T, Schaller H, Schleyer PvR. On the stability of trimethylenemethane dications Journal of Organic Chemistry. 49: 733-735. DOI: 10.1021/Jo00178A041  1
1984 Wilhelm D, Dietrich H, Clark T, Mahdi W, Kos AJ, Schleyer PvR. Dilithium tribenzylidenemethane-2-TMEDA: the first x-ray structure of a Y-conjugated trimethylenemethane dianion derivative Journal of the American Chemical Society. 106: 7279-7280. DOI: 10.1021/Ja00335A088  1
1984 Schleyer PVR, Clark T, Kos AJ, Spitznagel GW, Rohde C, Arad D, Houk KN, Rondan NG. Structures and stabilities of α-hetero-substituted organolithium and organosodium compounds. Energetic unimportance of d-orbital effects Journal of the American Chemical Society. 106: 6467-6475. DOI: 10.1021/Ja00334A001  1
1984 Clark T, Spitznagel GW, Klose R, Schleyer PvR. Substituent effects on the geometries and energies of cyclopropanes and the corresponding 2-propyl derivatives Journal of the American Chemical Society. 106: 4412-4419. DOI: 10.1021/Ja00328A020  1
1984 Kaufmann E, Clark T, Schleyer PvR. Dimerization energies of lithium compounds with first-row substituents Journal of the American Chemical Society. 106: 1856-1858. DOI: 10.1021/Ja00318A061  1
1984 Wilhelm D, Clark T, Schleyer PvR, Courtneidge JL, Davies AG. Reactions of polyanions derived from alkylbenzenes Journal of the American Chemical Society. 106: 361-367. DOI: 10.1021/Ja00314A020  1
1984 Wilhelm D, Clark T, Schleyer PVR, Courtneidge JL, Davies AG. The nature of the counterion in butyllithium/potassium t-alkoxide reaction mixtures: An ESR study Journal of Organometallic Chemistry. 273. DOI: 10.1016/0022-328X(84)80513-6  1
1984 Dietrich H, Mahdi W, Wilhelm D, Clark T, Schleyer PVR. STRUCTURE OF A “Y-CONJUGATED” DILITHIUM SALT OF AN α,α′-KETO DIANION: 1,3-DILITHIODIBENZYL KETONE-(ME2NCH2CH2NME2)2 Cheminform. 15. DOI: 10.1002/Chin.198448057  1
1984 Wilhelm D, Courtneidge JL, Clark T, Davies AG. The Pentalene Radical Anion Cheminform. 15. DOI: 10.1002/Chin.198444094  1
1984 Wilhelm D, Clark T, Schleyer PVR. Y-Conjugated Dianions: a Comparison Between the 1,1-Dibenzylethylene and Diphenylacetone-derived Dianions (MNDO-Rechnungen). Cheminform. 15. DOI: 10.1002/Chin.198435063  1
1984 Wilhelm D, Clark T, Schleyer PVR, Davies AG. Ring Opening of a Bicyclo[3.3.0]octadienediyl Dianion. Cheminform. 15. DOI: 10.1002/Chin.198433108  1
1984 Schoetz K, Clark T, Schaller H, Schleyer PVR. On The Stability Of Trimethylenemethane Dications Cheminform. 15. DOI: 10.1002/Chin.198428111  1
1984 Kaufmann E, Clark T, Schleyer PVR. Dimerization Energies of Lithium Compounds with First-Row Substituents Cheminform. 15. DOI: 10.1002/Chin.198424002  1
1984 Wilhelm D, Clark T, Schleyer PVR, Courtneidge JL, Davies AG. Reactions of Polyanions Derived from Alkylbenzenes. Cheminform. 15. DOI: 10.1002/Chin.198417131  1
1984 Mareda J, Rondan NG, Houk KN, Clark T, Schleyer PVR. Transition Structure For The Reaction Of A Carbenoid, (Fluoromethyl)Lithium, With Ethylene Cheminform. 15. DOI: 10.1002/Chin.198408055  1
1984 Dietrich H, Mahdi W, Wilhelm D-D, Clark T, Schleyer PvR. Structure of a “Y‐Conjugated” Dilithium Salt of an α,α′‐Keto Dianion: 1,3‐Dilithiodibenzyl Ketone‐(Me2NCH2CH2NMe2)2 Angewandte Chemie. 23: 621-622. DOI: 10.1002/Anie.198406211  1
1984 Kos AJ, Clark T, Schleyer PvR. The ab initio Calculation of the Structure of 1,3‐Dilithioacetone Angewandte Chemie. 23: 620-621. DOI: 10.1002/Anie.198406201  1
1983 Clark T, Kos AJ, Schleyer PvR, Cofino WP, Wolf WHd, Bickelhaupt F. β-Substituted cyclopropyl radicals Journal of the Chemical Society, Chemical Communications. 685-687. DOI: 10.1039/C39830000685  1
1983 Clark T, Wilhelm D, Schleyer PvR. Mechanism of hydroboration in ether solvents. A model ab initio study Journal of the Chemical Society, Chemical Communications. 606-608. DOI: 10.1039/C39830000606  1
1983 Wilhelm D, Clark T, Courtneidge JL, Davies AG. Carbon–metal bond homolysis in 1,2-dimetallo-organic compounds Journal of the Chemical Society, Chemical Communications. 213-214. DOI: 10.1039/C39830000213  1
1983 Wilhelm D, Clark T, Schleyer PvR. Radical anion reactions in n-butyl-lithium–potassium t-pentyl oxide mixtures Journal of the Chemical Society, Chemical Communications. 211-213. DOI: 10.1039/C39830000211  1
1983 Clark T, Rohde C, Schleyer PvR. Allyllithium, allylsodium, and allylmagnesium hydride: geometries and bonding: a comparative ab initio study Organometallics. 2: 1344-1351. DOI: 10.1021/Om50004A015  1
1983 Schleyer PvR, Wuerthwein EU, Kaufmann E, Clark T, Pople JA. Effectively hypervalent molecules. 2. Lithium carbide (CLi5), lithium carbide (CLi6), and the related effectively hypervalent first row molecules, CLi5-nHn and CLi6-nHn Journal of the American Chemical Society. 105: 5930-5932. DOI: 10.1021/Ja00356A045  1
1983 Wilhelm D, Clark T, Schleyer PvR. The stereochemistry of the dibenzylidene-ethylene dianion Tetrahedron Letters. 24: 3985-3988. DOI: 10.1016/S0040-4039(00)88243-X  1
1983 Clark T. Three‐electron bonds. III. Phosphorus and chlorine σ* radical cations Journal of Computational Chemistry. 4: 404-409. DOI: 10.1002/Jcc.540040316  1
1983 Clark T, Chandrasekhar J, Spitznagel GW, Schleyer PVR. Efficient diffuse function‐augmented basis sets for anion calculations. III. The 3‐21+G basis set for first‐row elements, Li–F Journal of Computational Chemistry. 4: 294-301. DOI: 10.1002/Jcc.540040303  1
1983 Neugebauer W, Clark T, Schleyer PVR. Regioselective Metalation Of Aromatic Compounds. Ii. Second Metalation And 1-Lithionapthalene And 9-Lithioanthracene. Cheminform. 14. DOI: 10.1002/Chin.198352274  1
1983 Nelsen SF, Cunkle GT, Evans DH, Clark T. Measurement of the rotational barrier of a tetraalkylhydrazine radical cation Journal of the American Chemical Society. 105: 5928-5929. DOI: 10.1002/Chin.198350050  1
1983 Wilhelm D, Clark T, Friedl T, Schleyer PVR. The Metalation-Elimination Reaction. Ii. Monocyclic Anions And Polyanions Cheminform. 14. DOI: 10.1002/Chin.198319118  1
1983 Wilhelm D, Clark T, Schleyer PVR. The Metalation-Elimination Reaction. Iii. Polymethylenebiphenyl Polyanions By Y Metalation-Elimination Cheminform. 14. DOI: 10.1002/Chin.198307175  1
1983 Wilhelm D, Clark T, Schleyer PvR, Buckl K, Boche G. Notizen: Das Tribenzylidenmethan‐Dianion Chemische Berichte. 116: 1669-1673. DOI: 10.1002/Cber.19831160441  1
1983 Wilhelm D, Clark T, Friedl T, Schleyer PvR. The Metallation‐Elimination Reaction, II. Monocyclic Anions and Polyanions Chemische Berichte. 116: 751-760. DOI: 10.1002/Cber.19831160232  1
1982 Clark T. Silyl halide radical anions Journal of the Chemical Society-Perkin Transactions 1. 14: 1267-1271. DOI: 10.1039/P29820001267  1
1982 Rohde C, Clark T, Kaufmann E, Schleyer PvR. (CH2LiF)2: the effect of dimerization on the structure and dissociation energy of carbenoids Journal of the Chemical Society, Chemical Communications. 882-884. DOI: 10.1039/C39820000882  1
1982 Wilhelm D, Clark T, Schleyer PvR. Polymenthylenebiphenyl polyanions by metallation—elimination Tetrahedron Letters. 23: 4077-4078. DOI: 10.1016/S0040-4039(00)88351-3  1
1982 Clark T, Wilhelm D, Schleyer PvR. Y vs. cyclic delocalization in small ring dications and dianions: The dominance of charge repulsion over Huckel aromaticity Tetrahedron Letters. 23: 3547-3550. DOI: 10.1016/S0040-4039(00)87665-0  1
1982 Spitznagel GW, Clark T, Chandrasekhar J, Schleyer PVR. Stabilization of methyl anions by first‐row substituents. The superiority of diffuse function‐augmented basis sets for anion calculations Journal of Computational Chemistry. 3: 363-371. DOI: 10.1002/Jcc.540030311  1
1982 Clark T. Three‐Electron bonds. II. SS and SCL three‐electron bonds Journal of Computational Chemistry. 3: 112-116. DOI: 10.1002/Jcc.540030116  1
1981 Schleyer PvR, Chandrasekhar J, Kos AJ, Clark T, Spitznagel GW. The relationship between the energies of carbanions, R–, and their lithiated counterparts, RLi. An ab initio study Journal of the Chemical Society, Chemical Communications. 882-884. DOI: 10.1039/C39810000882  1
1981 Clark T, Schleyer PvR, Houk KN, Rondan NG. Structures of α-lithiomethanol and α-lithiomethylamine; and an ab initio study Journal of the Chemical Society, Chemical Communications. 579-581. DOI: 10.1039/C39810000579  1
1981 Clark T. Methyl and silyl halide radical anions: An ab initio study Journal of the Chemical Society, Chemical Communications. 515-516. DOI: 10.1039/C39810000515  1
1981 Andrade JG, Clark T, Chandrasekhar J, Schleyer PvR. Alternative mechanisms for cyanide anion exchange with acetonitrile Tetrahedron Letters. 22: 2957-2960. DOI: 10.1016/S0040-4039(01)81798-6  1
1981 Clark T. Three electron bonds. I. The H2SSH radical cation Journal of Computational Chemistry. 2: 261-265. DOI: 10.1002/Jcc.540020307  1
1981 Clark T, Schleyer PVR. Conformational preferences of 34 valence electron A2X4 molecules: An ab initio Study of B2F4, B2Cl4, N2O4, and C2O 42− Journal of Computational Chemistry. 2: 20-29. DOI: 10.1002/Jcc.540020106  1
1980 Clark T, Knox TM, McKervey MA, Mackle H. Thermochemistry of bridged-ring substances. Enthalpies of formation of diamantan-1-, -3-, and -4-ol and of diamantanone Journal of the Chemical Society-Perkin Transactions 1. 12: 1686-1689. DOI: 10.1039/P29800001686  1
1980 Clark T, Chandrasekhar J, Schleyer PvR. 7 Li–13C n.m.r. coupling constants and the nature of the carbon–lithium bond: INDO MO calculations Journal of the Chemical Society, Chemical Communications. 672-673. DOI: 10.1039/C39800000672  1
1980 Clark T, Chandrasekhar J, Schleyer PvR, Saunders M. Deuterium isotope effect on the e.s.r. Spectrum of annulene radicals: a reappraisal Journal of the Chemical Society, Chemical Communications. 265-266. DOI: 10.1039/C39800000265  1
1980 Clark T, Heinrich K, Schleyer PvR. Stabilization of methyl anions by first row substituents Tetrahedron Letters. 21: 743-746. DOI: 10.1016/S0040-4039(00)71461-4  1
1980 Clark T, Schleyer PvR. The isomeric structures of SiH2LiF Journal of Organometallic Chemistry. 191: 347-353. DOI: 10.1016/S0022-328X(00)81063-3  1
1980 Clark T, Schleyer PvR. The carbenoid, CCl3Li, eschews tetrahedral structures Cheminform. 11. DOI: 10.1002/Chin.198012060  1
1980 Clark T, Schleyer PVR. Isomeric Structures Of The Carbenoid Difluoromethyllithium Cheminform. 11. DOI: 10.1002/Chin.198011096  1
1979 Clark T, Schleyer PvR. The structures of the carbenoid CH2FLi: ab initio MO calculations Journal of the Chemical Society, Chemical Communications. 883-884. DOI: 10.1039/C39790000883  1
1979 Clark T, Schleyer PvR. The carbenoid, CCl3Li, eschews tetrahedral structures Journal of the American Chemical Society. 101: 7747-7748. DOI: 10.1021/Ja00520A036  1
1979 Clark T. Chemical generation of excited-state radicals: succinimidoyl Journal of the American Chemical Society. 101: 7746-7747. DOI: 10.1021/Ja00520A035  1
1979 Clark T, Knox TM, McKervey MA, Mackle H, Rooney JJ. Thermochemistry of bridged-ring substances. Enthalpies of formation of some diamondoid hydrocarbons and of perhydroquinacene. Comparisons with data from empirical force field calculations Journal of the American Chemical Society. 101: 2404-2410. DOI: 10.1021/Ja00503A028  1
1979 Clark T, Schleyer PvR. Isomeric structures of the carbenoid, CHF2Li Tetrahedron Letters. 20: 4963-4966. DOI: 10.1016/S0040-4039(01)86762-9  1
1979 Clark T, Schleyer PvR. Stabilization of methyl cations by second row substituents Tetrahedron Letters. 20: 4641-4644. DOI: 10.1016/S0040-4039(01)86671-5  1
1978 Clark T, Schleyer PvR, Pople JA. Proposal for the mechanism of inversion of alkyl-lithiums Journal of the Chemical Society, Chemical Communications. 137-138. DOI: 10.1039/C39780000137  1
1978 Clark T, Schleyer PvR. Hydroboration; An ab initio study of the reaction of BH3 with ethylene Journal of Organometallic Chemistry. 156: 191-202. DOI: 10.1016/S0022-328X(00)84876-7  1
1978 Westrum EF, McKervey MA, Andrews JTS, Fort RC, Clark T. Heat capacity and thermodynamic properties of diamantane from 5 to 540 K The Journal of Chemical Thermodynamics. 10: 959-965. DOI: 10.1016/0021-9614(78)90057-5  1
1977 Clark T, Knox TMO, Mackle H, McKervey MA. Order–disorder transitions in substituted adamantanes Journal of the Chemical Society, Faraday Transactions. 73: 1224-1231. DOI: 10.1039/F19777301224  1
1977 Clark T, Schleyer PVR. The Methylenecycloheptatrienyl Dianion Cheminform. 8. DOI: 10.1002/Chin.197705175  1
1976 Clark T, Schleyer PVR. The methylenecycloheptatrienyl dianion Journal of the Chemical Society, Chemical Communications. 798-799. DOI: 10.1039/C39760000798  1
1975 Clark T, Knox T, MacKle H, McKervey MA, Rooney JJ. Heats of sublimation of some cage hydrocarbons by a temperature scanning technique Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 71: 2107-2110. DOI: 10.1039/F19757102107  1
1975 Clark T, Knox TM, Mackle H, McKervey MA. Enthalpy of formation of perhydroquinacene and a comment on the strain energy of dodecahedrane Journal of the Chemical Society, Chemical Communications. 666-667. DOI: 10.1039/C39750000666  1
1975 Clark T, Knox TM, Mackle H, McKervey MA, Rooney JJ. Calorimetric evaluation of enthalpies of formation of some bridged-ring hydrocarbons. Comparison with data from empirical force field calculations Journal of the American Chemical Society. 97: 3835-3836. DOI: 10.1021/Ja00846A055  1
1975 Clark T, Knox TM, Mackle H, Mckervey MA, Rooney JL. Calorimetric Evaluation Of Enthalpies Of Formation Of Some Bridged-Ring Hydrocarbons. Comparison With Data From Empirical Force Field Calculations Cheminform. 6. DOI: 10.1002/Chin.197536097  1
1974 Clark T, McKervey MA, MacKle H, Rooney JJ. Pre-melting transitions in caged hydrocarbons, a general theory of disorder in plastic crystals Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 70: 1279-1291. DOI: 10.1039/F19747001279  1
1973 Clark T, Mackle H, McKervey MA, Rooney JJ. Splitting effect of added diamantan-4-ol on the first pre-melting transition of diamantane Journal of the Chemical Society, Chemical Communications. DOI: 10.1039/C3973000007B  1
1972 Clark T, Johnston DE, Mackle H, McKervey MA, Rooney JJ. Diamantane derivatives, a new series of plasticlaly crystalline compounds. The strain energy of diamantane Journal of the Chemical Society, Chemical Communications. 1042-1043. DOI: 10.1039/C39720001042  1
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