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There are 1785198 results for: content related to: Energetics and electronic rearrangements of proton transfer in (H 3 NHOH 2 ) +

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    Detailed comparison of the pnicogen bond with chalcogen, halogen, and hydrogen bonds

    International Journal of Quantum Chemistry

    Volume 113, Issue 11, 5 June 2013, Pages: 1609–1620, Steve Scheiner

    Article first published online : 29 OCT 2012, DOI: 10.1002/qua.24357

  2. 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

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560290218

  3. 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

    Article first published online : 19 JUN 2009, DOI: 10.1002/qua.560360716

  4. 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

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560860

  5. Tunnel effect in proton transfer

    International Journal of Quantum Chemistry

    Volume 38, Issue 4, October 1990, Pages: 521–531, J. L. Esquivel and J. F. Mata-Segreda

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560380403

  6. Tautomerism in 2,2′-bipyridyl-3,3′-diol

    International Journal of Quantum Chemistry

    Volume 57, Issue 4, 15 February 1996, Pages: 721–728, Venelin Enchev

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)57:4<721::AID-QUA19>3.0.CO;2-2

  7. Structure of the ammonia dimer studied by density functional theory

    International Journal of Quantum Chemistry

    Volume 49, Issue 5, 15 February 1994, Pages: 613–623, Tianhai Zhu and Weitao Yang

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560490507

  8. 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

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560360313

  9. Ab Initio investigation of the structure of hydrogen halide-amine complexes in the gas phase and in a polarizable medium

    International Journal of Quantum Chemistry

    Volume 32, Issue S14, 14 March 1987, Pages: 47–56, Ingrid J. Kurnig and Steve Scheiner

    Article first published online : 16 APR 2008, DOI: 10.1002/qua.560320809

  10. 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

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440872

  11. Investigation of the correlation energy component of the intermolecular interaction energy

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 43–50, E. Kapuy, F. Bogár, C. Kozmutza and E. Tfirst

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480808

  12. O[BOND]H stretching force constant in associated methanol species and the cooperativity effect

    International Journal of Quantum Chemistry

    Volume 36, Issue 2, August 1989, Pages: 105–118, M. C. Shivaglal and Surjit Singh

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560360203

  13. Effect of hydrogen bonding and cooperativity on stretching force constants of formamide

    International Journal of Quantum Chemistry

    Volume 44, Issue 5, 5 November 1992, Pages: 679–690, M. C. Shivaglal and Surjit Singh

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440502

  14. 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

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560560607

  15. Ab initio molecular orbital calculations on the associated complexes of lithium cyanide with ammonia

    International Journal of Quantum Chemistry

    Volume 55, Issue 6, 15 September 1995, Pages: 477–484, P. Mohandas, M. C. Shivaglal, J. Chandrasekhar and Surjit Singh

    Article first published online : 21 SEP 2004, DOI: 10.1002/qua.560550606

  16. Modeling of coupled proton transfers by analytic functions

    International Journal of Quantum Chemistry

    Volume 44, Issue S19, 14/21 March 1992, Pages: 109–124, Xiaofeng Duan and Steve Scheiner

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560440713

  17. Modification of the Roothaan equations to exclude BSSE from molecular interaction calculations

    International Journal of Quantum Chemistry

    Volume 60, Issue 1, 5 October 1996, Pages: 157–166, E. Gianinetti, M. Raimondi and E. Tornaghi

    Article first published online : 6 DEC 1998, DOI: 10.1002/(SICI)1097-461X(1996)60:1<157::AID-QUA17>3.0.CO;2-C

  18. Adenine–Thymine proton relay: Electric field and environmental effects on point mutation DNA

    International Journal of Quantum Chemistry

    Volume 38, Issue S17, 17/24 March 1990, Pages: 35–44, Ricardo L. Longo and Luiz Carlos Gomide Freitas

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560381707

  19. Solvent effect on the potential surface of the proton transfer in [H3N[BOND]H[BOND]NH3]+

    International Journal of Quantum Chemistry

    Volume 48, Issue S27, 13/20 March 1993, Pages: 491–499, Jiali Gao

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560480847

  20. Potential energy curves in complementary base pairs and in model hydrogen bonded systems

    International Journal of Quantum Chemistry

    Volume 20, Issue 2, August 1981, Pages: 339–346, Henryk Chojnacki, J´zef Lipiński and W. Andrzej Sokalski

    Article first published online : 19 OCT 2004, DOI: 10.1002/qua.560200205