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There are 7622583 results for: content related to: Energetics and electronic rearrangements of proton transfer in (H 3 NHOH 2 ) +

  1. Additivity of the effects of external ions and dipoles upon the energetics of proton transfer

    International Journal of Quantum Chemistry

    Volume 30, Issue S13, 6/8 March 1986, Pages: 71–79, Ingrid J. Kurnig and Steve Scheiner

    Version of Record online : 19 JUN 2009, DOI: 10.1002/qua.560300809

  2. Perturbations of proton transfer potentials caused by polar molecules

    International Journal of Quantum Chemistry

    Volume 36, Issue S16, 1/8 April 1989, Pages: 211–217, Steve Scheiner, Rongshun Wang and Lan Wang

    Version of Record online : 19 JUN 2009, DOI: 10.1002/qua.560360716

  3. Calculation of barriers to proton transfer using a variety of electron correlation methods

    International Journal of Quantum Chemistry

    Volume 44, Issue S26, 14/21 March 1992, Pages: 817–835, Karl Luth and Steve Scheiner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560440872

  4. Effects of external ions upon proton transfer reactions: H-bonded systems containing HCOOH

    International Journal of Quantum Chemistry

    Volume 34, Issue S15, 12/19 March 1988, Pages: 137–147, Steve Scheiner and T. Das

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560340713

  5. Ab initio study of proton transfers including effects of electron correlation

    International Journal of Quantum Chemistry

    Volume 23, Issue 2, February 1983, Pages: 739–751, Steve Scheiner, Malgorzata M. Szczȩlśniak and Larry D. Bigham

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560230243

  6. Proton Transfer in Malonaldehyde: An Ab Initio Projector Augmented Wave Molecular Dynamics Study

    Chemistry - A European Journal

    Volume 4, Issue 8, 7 August 1998, Pages: 1418–1427, Katharina Wolf, Werner Mikenda, Ernst Nusterer, Karlheinz Schwarz and Claudia Ulbricht

    Version of Record online : 14 DEC 1998, DOI: 10.1002/(SICI)1521-3765(19980807)4:8<1418::AID-CHEM1418>3.0.CO;2-9

  7. Energetics of proton transfer between carbon atoms (H3CH [BOND] CH3)

    International Journal of Quantum Chemistry

    Volume 29, Issue 2, February 1986, Pages: 285–292, Zdzisław Latajka and Steve Scheiner

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560290218

  8. New insights in the clastic binding hypothesis for opiate—receptor interactions II: Proton-transfer mechanism

    Journal of Pharmaceutical Sciences

    Volume 73, Issue 6, June 1984, Pages: 719–723, Vera M. Kolb and Steve Scheiner

    Version of Record online : 18 SEP 2006, DOI: 10.1002/jps.2600730604

  9. Modeling proton transfer potentials in angularly deformed hydrogen bonds

    International Journal of Quantum Chemistry

    Volume 48, Issue S20, 13/20 March 1993, Pages: 77–87, Xiaofeng Duan, Steve Scheiner and Rongshun Wang

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560480711

  10. Theoretical study of carbonic anhydrase-catalyzed hydration of co2: A brief review

    International Journal of Quantum Chemistry

    Volume 36, Issue 3, September 1989, Pages: 299–312, Jiin-Yun Liang and William N. Lipscomb

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560360313

  11. Effect of nonproximate atomic substitution on excited state intramolecular proton transfer

    Journal of Computational Chemistry

    Volume 19, Issue 2, 30 January 1998, Pages: 129–138, Martin Čuma, Clifton Thompson and Steve Scheiner

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1096-987X(19980130)19:2<129::AID-JCC5>3.0.CO;2-W

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    Antioxidant and semicarbazide-sensitive amine oxidase inhibitory activities of alginic acid hydroxamates

    Journal of the Science of Food and Agriculture

    Volume 87, Issue 1, 15 January 2007, Pages: 138–146, Der-Zen Liu, Wen-Chung Wu, Hong-Jen Liang and Wen-Chi Hou

    Version of Record online : 11 OCT 2006, DOI: 10.1002/jsfa.2690

  13. Persistent Hydrogen-Bonded and Non-Hydrogen-Bonded Phenoxyl Radicals

    Chemistry - A European Journal

    Volume 17, Issue 42, October 10, 2011, Pages: 11882–11892, Dr. Riccardo Wanke, Dr. Laurent Benisvy, Dr. Maxim L. Kuznetsov, Dr. M. Fátima C. Guedes da Silva and Prof. Armando J. L. Pombeiro

    Version of Record online : 5 SEP 2011, DOI: 10.1002/chem.201101509

  14. Proton transfer in H5Omath image and H3Omath image with an external restraining force

    International Journal of Quantum Chemistry

    Volume 56, Issue S29, 25 February/4 March 1995, Pages: 567–575, Tapas Kar and Steve Scheiner

    Version of Record online : 21 SEP 2004, DOI: 10.1002/qua.560560860

  15. Dihydrogen Bonding, Proton Transfer and Beyond: What We Can Learn from Kinetics and Thermodynamics

    European Journal of Inorganic Chemistry

    Volume 2010, Issue 23, August 2010, Pages: 3555–3565, Natalia V. Belkova, Lina M. Epstein and Elena S. Shubina

    Version of Record online : 13 JUL 2010, DOI: 10.1002/ejic.201000546

  16. Effect of proton transfer on neighboring hydrogen-bond strength

    International Journal of Quantum Chemistry

    Volume 40, Issue S18, 1991, Pages: 37–48, Steve Scheiner and Wa On Yu

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560400709

  17. Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations

    Journal of Computational Chemistry

    Volume 19, Issue 15, 30 November 1998, Pages: 1675–1688, G.-S. Li, B. Maigret, D. Rinaldi and M. F. Ruiz-López

    Version of Record online : 6 JAN 1999, DOI: 10.1002/(SICI)1096-987X(19981130)19:15<1675::AID-JCC1>3.0.CO;2-K

  18. Proton transfer in small model systems: A density functional study

    International Journal of Quantum Chemistry

    Volume 56, Issue 6, 15 December 1995, Pages: 697–705, Vincenzo Barone, Laura Orlandini and Carlo Adamo

    Version of Record online : 21 SEP 2004, DOI: 10.1002/qua.560560607

  19. Factors influencing proton positions in biomolecules

    International Journal of Quantum Chemistry

    Volume 29, Issue 4, April 1986, Pages: 817–827, Steve Scheiner, Paul Redfern and Eric A. Hillenbrand

    Version of Record online : 19 OCT 2004, DOI: 10.1002/qua.560290420

  20. Gas-phase basicities of polyfunctional molecules. Part 2: Saturated basic sites

    Mass Spectrometry Reviews

    Volume 31, Issue 3, May/June 2012, Pages: 353–390, Guy Bouchoux and Jean-Yves Salpin

    Version of Record online : 19 JUL 2011, DOI: 10.1002/mas.20343