| Year |
Citation |
Score |
| 2020 |
Wolf M, Lungerich D, Bauroth S, Popp M, Platzer B, Clark T, Anderson HL, Jux N, Guldi DM. Panchromatic light funneling through the synergy in hexabenzocoronene-(metallo)porphyrin-fullerene assemblies to realize the separation of charges. Chemical Science. 11: 7123-7132. PMID 34122999 DOI: 10.1039/d0sc02028a |
0.657 |
|
| 2020 |
Torres T, Anaya-Plaza E, Joseph J, Bauroth S, Wagner M, Dolle C, Sekita M, Gröhn F, Spiecker E, Clark T, de la Escosura A, Guldi DM, Torres T. Synergy of Electrostatic and π-π Interactions in the Realization of Nanoscale Artificial Photosynthetic Model Systems. Angewandte Chemie (International Ed. in English). PMID 32652750 DOI: 10.1002/Anie.202006014 |
0.325 |
|
| 2020 |
Kaur R, Possanza F, Limosani F, Bauroth S, Zanoni R, Clark T, Arrigoni G, Tagliatesta P, Guldi DM. Understanding and controlling short- and long-range electron/charge transfer processes in electron donor-acceptor conjugates. Journal of the American Chemical Society. PMID 32172566 DOI: 10.1021/Jacs.0C01452 |
0.329 |
|
| 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 |
0.645 |
|
| 2020 |
Wolf M, Lungerich D, Bauroth S, Popp M, Platzer B, Clark T, Anderson HL, Jux N, Guldi DM. Panchromatic light funneling through the synergy in hexabenzocoronene–(metallo)porphyrin–fullerene assemblies to realize the separation of charges Chemical Science. 11: 7123-7132. DOI: 10.1039/D0Sc02028A |
0.681 |
|
| 2020 |
Zango G, Krug M, Krishna S, Mariñas V, Clark T, Martinez-Diaz MV, Guldi DM, Torres T. Photoactive preorganized subphthalocyanine-based molecular tweezers for selective complexation of fullerenes Chemical Science. 11: 3448-3459. DOI: 10.1039/D0Sc00059K |
0.348 |
|
| 2019 |
Kriebel M, Hennemann M, Beierlein FR, Medina DD, Bein T, Clark T. Propagation of Holes and Electrons in Metal-Organic Frameworks. Journal of Chemical Information and Modeling. PMID 31722177 DOI: 10.1021/Acs.Jcim.9B00461 |
0.327 |
|
| 2019 |
Khalili G, McCosker PM, Clark T, Keller PA. Synthesis and Density Functional Theory Studies of Azirinyl and Oxiranyl Functionalized Isoindigo and (3,3')-3,3'-(ethane-1,2-diylidene)bis(indolin-2-one) Derivatives. Molecules (Basel, Switzerland). 24. PMID 31658610 DOI: 10.3390/Molecules24203649 |
0.329 |
|
| 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 |
0.314 |
|
| 2019 |
Coutsolelos AG, Krug M, Stangel C, Zieleniewska A, Clark T, Torres T, Guldi DM. Combining zinc phthalocyanines, oligo(p-phenylenevinylenes), and fullerenes to impact reorganization energies and attenuation factors. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 31471925 DOI: 10.1002/Cphc.201900780 |
0.328 |
|
| 2019 |
Wang B, Bauroth S, Saha A, Chen M, Clark T, Lu X, Guldi DM. Tuning electron transfer in supramolecular nano-architectures made of fullerenes and porphyrins. Nanoscale. PMID 31134246 DOI: 10.1039/C9Nr02824B |
0.352 |
|
| 2019 |
Basel BS, Hetzer C, Zirzlmeier J, Thiel D, Guldi R, Hampel F, Kahnt A, Clark T, Guldi DM, Tykwinski RR. Davydov splitting and singlet fission in excitonically coupled pentacene dimers. Chemical Science. 10: 3854-3863. PMID 31015927 DOI: 10.1039/C9Sc00384C |
0.311 |
|
| 2019 |
Clark T. The Interaction of Radicals with σ-Holes. The Journal of Physical Chemistry. A. PMID 30916961 DOI: 10.1021/Acs.Jpca.9B01133 |
0.339 |
|
| 2019 |
Cadranel A, Margraf JT, Strauss V, Clark T, Guldi DM. Carbon Nanodots for Charge-Transfer Processes. Accounts of Chemical Research. PMID 30882201 DOI: 10.1021/Acs.Accounts.8B00673 |
0.673 |
|
| 2018 |
Schreck MH, Röhr MIS, Clark T, Stepanenko V, Würthner F, Lambert C. A Self-assembled Unit Comprising 12 Squaraine Dyes Built up from two Star-Shaped Hexasquarainyl-Benzene Molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30549333 DOI: 10.1002/Chem.201805685 |
0.518 |
|
| 2018 |
Clark T, Murray JS, Politzer P. A perspective on quantum mechanics and chemical concepts in describing noncovalent interactions. Physical Chemistry Chemical Physics : Pccp. PMID 30484786 DOI: 10.1039/C8Cp06786D |
0.324 |
|
| 2018 |
Kriebel M, Weber K, Clark T. A Feynman dispersion correction: a proof of principle for MNDO. Journal of Molecular Modeling. 24: 338. PMID 30443727 DOI: 10.1007/S00894-018-3874-6 |
0.305 |
|
| 2018 |
Keller N, Calik M, Sharapa D, Soni HR, Zehetmaier PM, Rager S, Auras F, Jakowetz AC, Goerling A, Clark T, Bein T. Enforcing Extended Porphyrin J-Aggregate Stacking in Covalent Organic Frameworks. Journal of the American Chemical Society. PMID 30392360 DOI: 10.1021/Jacs.8B08088 |
0.314 |
|
| 2018 |
Clark T, Murray JS, Politzer P. The σ-Hole Coulombic Interpretation of Trihalide Anion Formation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30156047 DOI: 10.1002/Cphc.201800750 |
0.323 |
|
| 2018 |
Legon AC, Sharapa D, Clark T. Dispersion and polar flattening: noble gas-halogen complexes. Journal of Molecular Modeling. 24: 172. PMID 29934938 DOI: 10.1007/S00894-018-3711-Y |
0.302 |
|
| 2018 |
Basel BS, Zirzlmeier J, Hetzer C, Reddy SR, Phelan BT, Krzyaniak MD, Volland MK, Coto PB, Young RM, Clark T, Thoss M, Tykwinski RR, Wasielewski MR, Guldi DM. Evidence for Charge-Transfer Mediation in the Primary Events of Singlet Fission in a Weakly Coupled Pentacene Dimer Chem. 4: 1092-1111. DOI: 10.1016/J.Chempr.2018.04.006 |
0.319 |
|
| 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 |
0.616 |
|
| 2017 |
Hitzenberger JF, Dral PO, Meinhardt U, Clark T, Thiel W, Kivala M, Drewello T. Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes. Chempluschem. 82: 204-211. PMID 31961553 DOI: 10.1002/Cplu.201600416 |
0.699 |
|
| 2017 |
Hitzenberger JF, Dral PO, Meinhardt U, Clark T, Thiel W, Kivala M, Drewello T. Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes. Chempluschem. 82: 163. PMID 31961542 DOI: 10.1002/cplu.201600596 |
0.689 |
|
| 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 |
0.305 |
|
| 2017 |
Kriebel M, Sharapa D, Clark T. Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with the Local Ionization Energy as External Potential. Journal of Chemical Theory and Computation. PMID 29048883 DOI: 10.1021/Acs.Jctc.7B00568 |
0.305 |
|
| 2017 |
Wolf M, Villegas C, Trukhina O, Delgado JL, Torres T, Martín N, Clark T, Guldi DM. Mediating Reductive Charge Shift Reactions in Electron Transport Chains. Journal of the American Chemical Society. PMID 29028170 DOI: 10.1021/Jacs.7B08670 |
0.337 |
|
| 2017 |
Schmaltz T, Gothe B, Krause A, Leitherer S, Steinrück HG, Thoss M, Clark T, Halik M. Effect of Structure and Disorder on the Charge Transport in Defined Self-Assembled Monolayers of Organic Semiconductors. Acs Nano. PMID 28813143 DOI: 10.1021/Acsnano.7B02394 |
0.324 |
|
| 2017 |
Holzwarth J, Amsharov KY, Sharapa DI, Reger D, Roshchyna K, Lungerich D, Jux N, Hauke F, Clark T, Hirsch A. Highly Regioselective Alkylation of Hexabenzocoronenes - Fundamental Insights into the Covalent Chemistry of Graphene. Angewandte Chemie (International Ed. in English). PMID 28782166 DOI: 10.1002/Anie.201706437 |
0.642 |
|
| 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 |
0.306 |
|
| 2017 |
Dral PO, Clark T. On the feasibility of reactions through the fullerene wall: a theoretical study of NHx@C60. Physical Chemistry Chemical Physics : Pccp. PMID 28639679 DOI: 10.1039/C7Cp02865B |
0.663 |
|
| 2017 |
Clark T. Odd-Electron Bonds. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28544253 DOI: 10.1002/Cphc.201700417 |
0.312 |
|
| 2017 |
Basel BS, Zirzlmeier J, Hetzer C, Phelan BT, Krzyaniak MD, Reddy SR, Coto PB, Horwitz NE, Young RM, White FJ, Hampel F, Clark T, Thoss M, Tykwinski RR, Wasielewski MR, et al. Unified model for singlet fission within a non-conjugated covalent pentacene dimer. Nature Communications. 8: 15171. PMID 28516916 DOI: 10.1038/Ncomms15171 |
0.32 |
|
| 2017 |
Reekie T, Sekita M, Urner L, Bauroth S, Ruhlamann L, Gisselbrecht JP, Boudon C, Trapp N, Clark T, Diederich F, Guldi DM. Porphyrin Donor and Tunable Push-Pull Acceptor Conjugates - Experimental Investigation of Marcus Theory. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 28256758 DOI: 10.1002/Chem.201700043 |
0.345 |
|
| 2017 |
Medina DD, Petrus ML, Jumabekov AN, Margraf JT, Weinberger S, Rotter JM, Clark T, Bein T. Directional Charge Carrier Transport in Oriented Benzodithiophene Covalent Organic Framework Thin Films. Acs Nano. PMID 28103436 DOI: 10.1021/Acsnano.6B07692 |
0.621 |
|
| 2017 |
Leitherer S, Jäger CM, Krause A, Halik M, Clark T, Thoss M. Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.064601 |
0.3 |
|
| 2017 |
Yzambart G, Zieleniewska A, Bauroth S, Clark T, Bryce MR, Guldi DM. Charge-Gating Dibenzothiophene-S,S-dioxide Bridges in Electron Donor–Bridge–Acceptor Conjugates Journal of Physical Chemistry C. 121: 13557-13569. DOI: 10.1021/Acs.Jpcc.7B03889 |
0.345 |
|
| 2016 |
Auras F, Ascherl L, Hakimioun AH, Margraf JT, Hanusch FC, Reuter S, Bessinger D, Döblinger M, Hettstedt C, Karaghiosoff K, Herbert S, Knochel P, Clark T, Bein T. Synchronized Offset Stacking: A Concept for Growing Large-Domain and Highly Crystalline 2D Covalent Organic Frameworks. Journal of the American Chemical Society. PMID 27992179 DOI: 10.1021/Jacs.6B09787 |
0.65 |
|
| 2016 |
Sharapa DI, Margraf JT, Hesselmann A, Clark T. Accurate Intermolecular Potential for the C60 Dimer: The Performance of Different Levels of Quantum Theory. Journal of Chemical Theory and Computation. PMID 27959551 DOI: 10.1021/Acs.Jctc.6B00869 |
0.65 |
|
| 2016 |
Lohse MS, Rotter JM, Margraf JT, Werner V, Becker M, Herbert S, Knochel P, Clark T, Bein T, Medina DD. From benzodithiophene to diethoxy-benzodithiophene covalent organic frameworks-structural investigations Crystengcomm. 18: 4295-4302. DOI: 10.1039/C6Ce00193A |
0.645 |
|
| 2016 |
Ascherl L, Sick T, Margraf JT, Lapidus SH, Calik M, Hettstedt C, Karaghiosoff K, Döblinger M, Clark T, Chapman KW, Auras F, Bein T. Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks Nature Chemistry. 8: 310-316. DOI: 10.1038/Nchem.2444 |
0.642 |
|
| 2016 |
Hitzenberger JF, Dral PO, Meinhardt U, Clark T, Thiel W, Kivala M, Drewello T. Cover Picture: Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-Heterotriangulenes (ChemPlusChem 2/2017) Chempluschem. 82: 161-161. DOI: 10.1002/Cplu.201600597 |
0.69 |
|
| 2015 |
Zango G, Zirzlmeier J, Claessens CG, Clark T, Martínez-Díaz MV, Guldi DM, Torres T. A push-pull unsymmetrical subphthalocyanine dimer. Chemical Science. 6: 5571-5577. PMID 29861894 DOI: 10.1039/C5Sc01709B |
0.313 |
|
| 2015 |
Kirner SV, Arteaga D, Henkel C, Margraf JT, Alegret N, Ohkubo K, Insuasty B, Ortiz A, Martín N, Echegoyen L, Fukuzumi S, Clark T, Guldi DM. On-off switch of charge-separated states of pyridine-vinylene-linked porphyrin-Cconjugates detected by EPR. Chemical Science. 6: 5994-6007. PMID 29449913 DOI: 10.1039/C5Sc02051D |
0.672 |
|
| 2015 |
Strauss V, Margraf JT, Clark T, Guldi DM. A carbon-carbon hybrid - immobilizing carbon nanodots onto carbon nanotubes. Chemical Science. 6: 6878-6885. PMID 28757976 DOI: 10.1039/C5Sc02728D |
0.632 |
|
| 2015 |
Herrmann S, Margraf JT, Clark T, Streb C. Thermochromic and solvatochromic properties of Lindqvist polyoxometalates. Chemical Communications (Cambridge, England). 51: 13702-5. PMID 26229997 DOI: 10.1039/C5Cc05730B |
0.644 |
|
| 2015 |
Sharapa D, Hirsch A, Meyer B, Clark T. Cubic C8 : An Observable Allotrope of Carbon? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 16: 2165-71. PMID 26013967 DOI: 10.1002/Cphc.201500230 |
0.309 |
|
| 2015 |
Strauss V, Margraf JT, Dirian K, Syrgiannis Z, Prato M, Wessendorf C, Hirsch A, Clark T, Guldi DM. Carbon Nanodots: Supramolecular Electron Donor-Acceptor Hybrids Featuring Perylenediimides. Angewandte Chemie (International Ed. in English). 54: 8292-7. PMID 26013642 DOI: 10.1002/Anie.201502482 |
0.662 |
|
| 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 |
0.644 |
|
| 2015 |
Tucher J, Peuntinger K, Margraf JT, Clark T, Guldi DM, Streb C. Template-dependent photochemical reactivity of molecular metal oxides. Chemistry (Weinheim An Der Bergstrasse, Germany). 21: 8716-9. PMID 25907798 DOI: 10.1002/Chem.201501129 |
0.631 |
|
| 2015 |
Margraf JT, Strauss V, Guldi DM, Clark T. The Electronic Structure of Amorphous Carbon Nanodots. The Journal of Physical Chemistry. B. 119: 7258-65. PMID 25731776 DOI: 10.1021/Jp510620J |
0.658 |
|
| 2015 |
Molt RW, Lecher AM, Clark T, Bartlett RJ, Richards NG. Facile C(sp(2))-C(sp(2)) bond cleavage in oxalic acid-derived radicals. Journal of the American Chemical Society. 137: 3248-52. PMID 25702589 DOI: 10.1021/Ja510666R |
0.481 |
|
| 2015 |
Stangel C, Schubert C, Kuhri S, Rotas G, Margraf JT, Regulska E, Clark T, Torres T, Tagmatarchis N, Coutsolelos AG, Guldi DM. Tuning the reorganization energy of electron transfer in supramolecular ensembles--metalloporphyrin, oligophenylenevinylenes, and fullerene--and the impact on electron transfer kinetics. Nanoscale. 7: 2597-608. PMID 25581327 DOI: 10.1039/C4Nr05165C |
0.666 |
|
| 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 |
0.301 |
|
| 2015 |
Schubert C, Margraf JT, Clark T, Guldi DM. Molecular wires--impact of π-conjugation and implementation of molecular bottlenecks. Chemical Society Reviews. 44: 988-98. PMID 25316408 DOI: 10.1039/C4Cs00262H |
0.656 |
|
| 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 |
0.645 |
|
| 2014 |
Strauss V, Margraf JT, Dolle C, Butz B, Nacken TJ, Walter J, Bauer W, Peukert W, Spiecker E, Clark T, Guldi DM. Carbon nanodots: toward a comprehensive understanding of their photoluminescence. Journal of the American Chemical Society. 136: 17308-16. PMID 25372278 DOI: 10.1021/Ja510183C |
0.649 |
|
| 2014 |
Feihl S, Costa RD, Brenner W, Margraf JT, Casillas R, Langmar O, Browa A, Shubina TE, Clark T, Jux N, Guldi DM. Integrating metalloporphycenes into p-type NiO-based dye-sensitized solar cells. Chemical Communications (Cambridge, England). 50: 11339-42. PMID 25119111 DOI: 10.1039/C4Cc04523H |
0.619 |
|
| 2014 |
Kastner K, Margraf JT, Clark T, Streb C. A molecular placeholder strategy to access a family of transition-metal-functionalized vanadium oxide clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 12269-73. PMID 25082170 DOI: 10.1002/Chem.201403592 |
0.627 |
|
| 2014 |
Shubina TE, Sharapa DI, Schubert C, Zahn D, Halik M, Keller PA, Pyne SG, Jennepalli S, Guldi DM, Clark T. Fullerene van der Waals oligomers as electron traps. Journal of the American Chemical Society. 136: 10890-3. PMID 25047127 DOI: 10.1021/Ja505949M |
0.331 |
|
| 2014 |
Leitherer S, Jäger CM, Halik M, Clark T, Thoss M. Modeling charge transport in C60-based self-assembled monolayers for applications in field-effect transistors. The Journal of Chemical Physics. 140: 204702. PMID 24880306 DOI: 10.1063/1.4876035 |
0.305 |
|
| 2014 |
Clark T. Simulating "soft" electronics. Journal of Cheminformatics. 6: O19. PMID 24765117 DOI: 10.1186/1758-2946-6-S1-O19 |
0.3 |
|
| 2014 |
Clark T, Murray JS, Politzer P. Role of polarization in halogen bonds Australian Journal of Chemistry. 67: 451-456. DOI: 10.1071/Ch13531 |
0.308 |
|
| 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 |
0.32 |
|
| 2013 |
Margraf JT, Ruland A, Sgobba V, Guldi DM, Clark T. Theoretical and experimental insights into the surface chemistry of semiconductor quantum dots. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 15450-6. PMID 24266745 DOI: 10.1021/La403633E |
0.643 |
|
| 2013 |
Li H, Schubert C, Dral PO, Costa RD, La Rosa A, Thüring J, Liu SX, Yi C, Filippone S, Martín N, Decurtins S, Clark T, Guldi DM. Probing charge transfer in benzodifuran-C60 dumbbell-type electron donor-acceptor conjugates: ground- and excited-state assays. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 2910-9. PMID 23918655 DOI: 10.1002/Cphc.201300378 |
0.674 |
|
| 2013 |
Etschel SH, Waterloo AR, Margraf JT, Amin AY, Hampel F, Jäger CM, Clark T, Halik M, Tykwinski RR. An unsymmetrical pentacene derivative with ambipolar behavior in organic thin-film transistors. Chemical Communications (Cambridge, England). 49: 6725-7. PMID 23752659 DOI: 10.1039/C3Cc43270J |
0.63 |
|
| 2013 |
Wielopolski M, Molina-Ontoria A, Schubert C, Margraf JT, Krokos E, Kirschner J, Gouloumis A, Clark T, Guldi DM, MartÃn N. Blending through-space and through-bond Ï€-Ï€-coupling in [2,2']-paracyclophane-oligophenylenevinylene molecular wires. Journal of the American Chemical Society. 135: 10372-81. PMID 23678866 DOI: 10.1021/Ja401239R |
0.664 |
|
| 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 |
0.362 |
|
| 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 |
0.312 |
|
| 2013 |
Margraf JT, Ruland A, Sgobba V, Guldi DM, Clark T. Quantum-dot-sensitized solar cells: Understanding linker molecules through theory and experiment Langmuir. 29: 2434-2438. PMID 23346913 DOI: 10.1021/La3047609 |
0.638 |
|
| 2013 |
Dral PO, Kivala M, Clark T. Doped polycyclic aromatic hydrocarbons as building blocks for nanoelectronics: a theoretical study. The Journal of Organic Chemistry. 78: 1894-902. PMID 23088568 DOI: 10.1021/Jo3018395 |
0.67 |
|
| 2013 |
Li H, Schubert C, Dral PO, Costa RD, La Rosa A, Thüring J, Liu S, Yi C, Filippone S, Martín N, Decurtins S, Clark T, Guldi DM. Inside Cover: Probing Charge Transfer in Benzodifuran-C60
Dumbbell-Type Electron Donor-Acceptor Conjugates: Ground- and Excited-State Assays (ChemPhysChem 13/2013) Chemphyschem. 14: 2870-2870. DOI: 10.1002/Cphc.201390062 |
0.656 |
|
| 2012 |
Ciammaichella A, Dral PO, Clark T, Tagliatesta P, Sekita M, Guldi DM. A π-stacked porphyrin-fullerene electron donor-acceptor conjugate that features a surprising frozen geometry. Chemistry (Weinheim An Der Bergstrasse, Germany). 18: 14008-16. PMID 23018982 DOI: 10.1002/Chem.201202245 |
0.685 |
|
| 2012 |
Salinas M, Jäger CM, Amin AY, Dral PO, Meyer-Friedrichsen T, Hirsch A, Clark T, Halik M. The relationship between threshold voltage and dipolar character of self-assembled monolayers in organic thin-film transistors. Journal of the American Chemical Society. 134: 12648-52. PMID 22731755 DOI: 10.1021/Ja303807U |
0.629 |
|
| 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 |
0.337 |
|
| 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 |
0.322 |
|
| 2011 |
Schenker S, Schneider C, Tsogoeva SB, Clark T. Assessment of Popular DFT and Semiempirical Molecular Orbital Techniques for Calculating Relative Transition State Energies and Kinetic Product Distributions in Enantioselective Organocatalytic Reactions. Journal of Chemical Theory and Computation. 7: 3586-95. PMID 26598257 DOI: 10.1021/Ct2002013 |
0.301 |
|
| 2011 |
Dral PO, Shubina TE, Hirsch A, Clark T. Influence of electron doping on the hydrogenation of fullerene C60 : a theoretical investigation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2581-9. PMID 21882335 DOI: 10.1002/Cphc.201100529 |
0.668 |
|
| 2011 |
Dral PO, Clark T. Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronics. The Journal of Physical Chemistry. A. 115: 11303-12. PMID 21848343 DOI: 10.1021/Jp204939X |
0.644 |
|
| 2011 |
de Miguel G, Wielopolski M, Schuster DI, Fazio MA, Lee OP, Haley CK, Ortiz AL, Echegoyen L, Clark T, Guldi DM. Triazole bridges as versatile linkers in electron donor-acceptor conjugates. Journal of the American Chemical Society. 133: 13036-54. PMID 21702513 DOI: 10.1021/Ja202485S |
0.347 |
|
| 2011 |
Molina-Ontoria A, Wielopolski M, Gebhardt J, Gouloumis A, Clark T, Guldi DM, Martín N. [2,2']paracyclophane-based π-conjugated molecular wires reveal molecular-junction behavior. Journal of the American Chemical Society. 133: 2370-3. PMID 21299214 DOI: 10.1021/Ja109745A |
0.322 |
|
| 2011 |
Wielopolski M, Santos J, Illescas BM, Ortiz A, Insuasty B, Bauer T, Clark T, Guldi DM, Martín N. Vinyl spacers—tuning electron transfer through fluorene-based molecular wires Energy and Environmental Science. 4: 765-771. DOI: 10.1039/C0Ee00499E |
0.335 |
|
| 2010 |
Wielopolski M, de Miguel Rojas G, van der Pol C, Brinkhaus L, Katsukis G, Bryce MR, Clark T, Guldi DM. Control over charge transfer through molecular wires by temperature and chemical structure modifications. Acs Nano. 4: 6449-62. PMID 20964306 DOI: 10.1021/Nn1013758 |
0.351 |
|
| 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 |
0.3 |
|
| 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 |
0.304 |
|
| 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 |
0.31 |
|
| 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 |
0.306 |
|
| 2010 |
Anders E, Clark T, Stankowiak A, Boldt HG, Fuchs R. N‐(1‐Acyloxyalkyl) Heteroaryliumsalze, IV1 Konformationskontrollierte Deprotonierung Bulletin Des SociéTéS Chimiques Belges. 94: 485-494. DOI: 10.1002/Bscb.19850940707 |
0.305 |
|
| 2009 |
Molina-Ontoria A, Fernández G, Wielopolski M, Atienza C, Sánchez L, Gouloumis A, Clark T, Martín N, Guldi DM. Self-association and electron transfer in donor-acceptor dyads connected by meta-substituted oligomers. Journal of the American Chemical Society. 131: 12218-29. PMID 19705914 DOI: 10.1021/Ja9024269 |
0.304 |
|
| 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 |
0.3 |
|
| 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 |
0.329 |
|
| 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 |
0.573 |
|
| 2008 |
Wielopolski M, Atienza C, Clark T, Guldi DM, Martín N. p-Phenyleneethynylene molecular wires: influence of structure on photoinduced electron-transfer properties. Chemistry (Weinheim An Der Bergstrasse, Germany). 14: 6379-6390. PMID 18553324 DOI: 10.1002/Chem.200800159 |
0.347 |
|
| 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 |
0.314 |
|
| 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 |
0.301 |
|
| 2008 |
Rusu CF, Lanig H, Othersen OG, Kryschi C, Clark T. Monitoring biological membrane-potential changes: a CI QM/MM study. The Journal of Physical Chemistry. B. 112: 2445-55. PMID 18247593 DOI: 10.1021/Jp075372+ |
0.301 |
|
| 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 |
0.309 |
|
| 2008 |
Höhfeld K, Teckentrup A, Clark T. Workflow-based identification of bioisosteric replacements for molecular scaffolds Chemistry Central Journal. 2: 22. DOI: 10.1186/1752-153X-2-S1-P22 |
0.336 |
|
| 2008 |
Xu R, Winget P, Clark T. The cyclooligomerisation of acetylene at metal centres European Journal of Inorganic Chemistry. 2874-2883. DOI: 10.1002/Ejic.200800077 |
0.333 |
|
| 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 |
0.31 |
|
| 2007 |
Hanauer H, Puchta R, Clark T, van Eldik R. Searching for stable, five-coordinate aquated Al(III) species. Water exchange mechanism and effect of pH. Inorganic Chemistry. 46: 1112-22. PMID 17249654 DOI: 10.1021/Ic061284C |
0.564 |
|
| 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 |
0.313 |
|
| 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 |
0.323 |
|
| 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 |
0.407 |
|
| 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 |
0.561 |
|
| 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 |
0.32 |
|
| 2006 |
Manners I, Lammertsma K, Vanderark L, Clark T, Rivard E, Slootweg J. Synthesis of Polyvinylenephosphines Synfacts. 2006: 1016-1016. DOI: 10.1055/S-2006-949366 |
0.371 |
|
| 2006 |
Clark T. Lithium cation as radical-polymerization catalyst Journal of the American Chemical Society. 128: 11278-11285. DOI: 10.1021/Ja063204+ |
0.329 |
|
| 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 |
0.311 |
|
| 2005 |
Politzer P, Clark T. Relationships between the chemical potential and electrostatic potentials and fields at nuclei Molecular Physics. 103: 891-895. DOI: 10.1080/00268970412331333582 |
0.308 |
|
| 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 |
0.322 |
|
| 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 |
0.343 |
|
| 2004 |
Kurzawa J, Schneider S, Büber J, Gleiter R, Clark T. Effect of through bond coupling and conformation on the photophysical properties of σ-bridged systems comprising a vinylnaphthalene donor and a dicyanovinyl acceptor Physical Chemistry Chemical Physics. 6: 3811-3823. DOI: 10.1039/B316157A |
0.466 |
|
| 2004 |
Winget P, Clark T. Enthalpies of Formation from B3LYP Calculations Journal of Computational Chemistry. 25: 725-733. DOI: 10.1002/Jcc.10398 |
0.303 |
|
| 2003 |
Othersen OG, Lanig H, Clark T. Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline. Journal of Medicinal Chemistry. 46: 5571-5574. PMID 14667210 DOI: 10.1021/Jm034199C |
0.304 |
|
| 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 |
0.305 |
|
| 2003 |
Chen Z, Jiao H, Seifert G, Horn AH, Yu D, Clark T, Thiel W, von Ragué Schleyer P. The structure and stability of Si60 and Ge60 cages: a computational study. Journal of Computational Chemistry. 24: 948-53. PMID 12720315 DOI: 10.1002/Jcc.10266 |
0.565 |
|
| 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 |
0.315 |
|
| 2003 |
Acar N, Kurzawa J, Fritz N, Stockmann A, Roman C, Schneider S, Clark T. Phenothiazine−Pyrene Dyads: Photoinduced Charge Separation and Structural Relaxation in the CT State Journal of Physical Chemistry A. 107: 9530-9541. DOI: 10.1021/Jp036250U |
0.306 |
|
| 2002 |
Clark T, Bleisteiner B, Schneider S. Excited state conformational dynamics of semiflexibly bridged electron donor-acceptor systems: a semiempirical CI-study including solvent effects. Journal of Molecular Modeling. 8: 87-94. PMID 12111396 DOI: 10.1007/S00894-002-0077-X |
0.344 |
|
| 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 |
0.347 |
|
| 2002 |
Clark T, Hennemann M, van Eldik R, Meyerstein D. Solvation largely accounts for the effect of N-alkylation on the properties of nickel(II/I) and chromium(III/II) cyclam complexes. Inorganic Chemistry. 41: 2927-35. PMID 12033901 DOI: 10.1021/Ic0113193 |
0.312 |
|
| 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 (Weinheim An Der Bergstrasse, Germany). 8: 1074-81. PMID 11891894 DOI: 10.1002/1521-3765(20020301)8:5<1074::Aid-Chem1074>3.0.Co;2-K |
0.351 |
|
| 2002 |
Park JM, Tarakeshwar P, Kim KS, Clark T. Nature of the interaction of paramagnetic atoms (A=4N,4P,3O,3S) with π systems and C60: A theoretical investigation of A⋅⋅⋅C6H6 and endohedral fullerenes A@C60 Journal of Chemical Physics. 116: 10684-10691. DOI: 10.1063/1.1479135 |
0.305 |
|
| 2002 |
Stockmann A, Kurzawa J, Fritz N, Acar N, Schneider S, Daub J, Engl R, Clark T. Conformational Control of Photoinduced Charge Separation within Phenothiazine−Pyrene Dyads Journal of Physical Chemistry A. 106: 7958-7970. DOI: 10.1021/Jp0142987 |
0.323 |
|
| 2001 |
Pérez-Lustres JL, Bräuer M, Mosquera M, Clark T. Ground-state tautomerism and rotational isomerization in 4,5-dimethyl-2-(2-hydroxyphenyl)imidazole in the gas phase and in polar solvents: a theoretical study of the aromaticity, intramolecular hydrogen-bond strength and differential solute–solvent interactions Physical Chemistry Chemical Physics. 3: 3569-3579. DOI: 10.1039/B102773P |
0.333 |
|
| 2001 |
Göller AH, Clark T. SAM1 semiempirical calculations on the mechanism of cytochrome P450 metabolism Journal of Molecular Structure-Theochem. 541: 263-281. DOI: 10.1016/S0166-1280(00)00810-1 |
0.307 |
|
| 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 |
0.307 |
|
| 1999 |
Hartmann M, Clark T, van Eldik R. Water Exchange Reactions and Hydrolysis of Hydrated Titanium(III) Ions. A Density Functional Theory Study The Journal of Physical Chemistry A. 103: 9899-9905. DOI: 10.1021/Jp9918508 |
0.311 |
|
| 1999 |
Lanig H, Gottschalk M, Schneider S, Clark T. Conformational Analysis of Tetracycline using Molecular Mechanical and Semiempirical MO-Calculations Journal of Molecular Modeling. 5: 46-62. DOI: 10.1007/S008940050104 |
0.312 |
|
| 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 |
0.317 |
|
| 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 |
0.323 |
|
| 1996 |
Göller A, Heydt H, Clark T. σ*-Aromaticity of Substituted 1H-Phosphirenium Cations and Substituted Silacyclopropenes† Journal of Organic Chemistry. 61: 5840-5846. DOI: 10.1021/Jo960387H |
0.313 |
|
| 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+ |
0.337 |
|
| 1996 |
Hartmann M, Clark T, van Eldik R. Theoretical Study of the Water Exchange Reaction on Divalent Zinc Ion using Density Functional Theory Journal of Molecular Modeling. 2: 354-357. DOI: 10.1007/S0089460020354.894 |
0.301 |
|
| 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 |
0.343 |
|
| 1995 |
Beck B, Clark T, Glen RC. A Detailed Study of VESPA Electrostatic Potential-Derived Atomic Charges Journal of Molecular Modeling. 1: 176-187. DOI: 10.1007/S008940050014 |
0.323 |
|
| 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 |
0.348 |
|
| 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 |
0.319 |
|
| 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 |
0.349 |
|
| 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 |
0.316 |
|
| 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 |
0.543 |
|
| 1992 |
Kranz M, Clark T. Azaborines: an ab initio study Journal of Organic Chemistry. 57: 5492-5500. DOI: 10.1021/Jo00046A035 |
0.316 |
|
| 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 |
0.324 |
|
| 1991 |
Buehl M, Schleyer PvR, Ibrahim MA, Clark T. Allylborane and its isomers. An ab initio study of the C3BH7 potential energy surface, the barrier to 1,3-shifts in allylboranes, and nonclassical boracyclobutane, cyclopropylborane, and vinylborane structures Journal of the American Chemical Society. 113: 2466-2471. DOI: 10.1021/Ja00007A018 |
0.661 |
|
| 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 |
0.321 |
|
| 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 |
0.308 |
|
| 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 |
0.304 |
|
| 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 |
0.315 |
|
| 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 |
0.319 |
|
| 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 |
0.349 |
|
| 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 |
0.338 |
|
| 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 |
0.31 |
|
| 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 |
0.311 |
|
| 1985 |
Stezowski JJ, Hoier H, Wilhelm D, Clark T, Schleyer PvR. The structure of an aromatic 10π electron ‘dianion’: dilithium pentalenide Journal of the Chemical Society, Chemical Communications. 1263-1264. DOI: 10.1039/C39850001263 |
0.316 |
|
| 1984 |
Clark T. Condensed-phase radical anions Faraday Discussions of the Chemical Society. 78: 203-212. DOI: 10.1039/Dc9847800203 |
0.313 |
|
| 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 |
0.308 |
|
| 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 |
0.322 |
|
| 1983 |
Luke BT, Pople JA, von Ragué Schleyer P, Clark T. Theoretical study of the carbenoid CH2FLi: Structures and energies of the stable configurations and transition states Chemical Physics Letters. 102: 148-154. DOI: 10.1016/0009-2614(83)87382-5 |
0.328 |
|
| 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 |
0.347 |
|
| 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 |
0.503 |
|
| 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 |
0.315 |
|
| 1982 |
Clark T. Silyl halide radical anions Journal of the Chemical Society-Perkin Transactions 1. 14: 1267-1271. DOI: 10.1039/P29820001267 |
0.349 |
|
| 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 |
0.323 |
|
| 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 |
0.534 |
|
| 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 |
0.325 |
|
| 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 |
0.515 |
|
| 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 |
0.303 |
|
| 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 |
0.303 |
|
| 1981 |
Weiss R, Wolf H, Schubert U, Clark T. The first bis gem donor-acceptor substituted allene: synthesis, geometry, and electronic structure Journal of the American Chemical Society. 103: 6142-6147. DOI: 10.1021/Ja00410A027 |
0.305 |
|
| 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 |
0.535 |
|
| 1981 |
Clark T. Three electron bonds. I. The H2SSH radical cation Journal of Computational Chemistry. 2: 261-265. DOI: 10.1002/Jcc.540020307 |
0.35 |
|
| 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 |
0.318 |
|
| 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 |
0.521 |
|
| 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 |
0.497 |
|
| 1980 |
Crans D, Clark T, von Ragué Schleyer P. A theoretical evaluation of the synergetic capto-dative stabilisation of free radicals Tetrahedron Letters. 21: 3681-3684. DOI: 10.1016/S0040-4039(00)78744-2 |
0.335 |
|
| 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 |
0.314 |
|
| 1980 |
Apeloig Y, Clark T, Kos AJ, Jemmis ED, Schleyer PVR. Geometries and Energies of Dilithioethylene Isomers and of Vinyl Lithium. AnAb InitioStudy Israel Journal of Chemistry. 20: 43-50. DOI: 10.1002/Chin.198040063 |
0.618 |
|
| 1980 |
APELOIG Y, CLARK T, KOS AJ, JEMMIS ED, SCHLEYER PVR. ChemInform Abstract: GEOMETRIES AND ENERGIES OF DILITHIOETHYLENE ISOMERS AND OF VINYL LITHIUM. AN AB INITIO STUDY Chemischer Informationsdienst. 11. DOI: 10.1002/CHIN.198040063 |
0.457 |
|
| 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 |
0.305 |
|
| 1979 |
Clark T, Schleyer PvR. Isomeric structures of the carbenoid, CHF2Li Tetrahedron Letters. 20: 4963-4966. DOI: 10.1016/S0040-4039(01)86762-9 |
0.302 |
|
| 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 |
0.31 |
|
| 1978 |
Clark T, Jemmis ED, Schleyer Pv, Binkley J, Pople JA. Ab initio structures of allyllithium Journal of Organometallic Chemistry. 150: 1-6. DOI: 10.1016/S0022-328X(00)85542-4 |
0.522 |
|
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