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There are 25682 results for: content related to: Theoretical estimation of the acidities of alcohols and azoles in gas phase, DMSO, and water

  1. Histone deacetylase inhibitors (HDACIs). Structure—activity relationships: history and new QSAR perspectives

    Medicinal Research Reviews

    Volume 32, Issue 1, January 2012, Pages: 1–165, Eleni Pontiki and Dimitra Hadjipavlou-Litina

    Version of Record online : 16 FEB 2010, DOI: 10.1002/med.20200

  2. On a sustainability interval index and its computation through global optimization

    AIChE Journal

    Volume 58, Issue 9, September 2012, Pages: 2743–2757, Jeremy A. Conner, Yannis A. Phillis and Vasilios I. Manousiouthakis

    Version of Record online : 18 NOV 2011, DOI: 10.1002/aic.12777

  3. Reaction kinetics of NH in the shock tube pyrolysis of HNCO

    International Journal of Chemical Kinetics

    Volume 21, Issue 11, November 1989, Pages: 1049–1067, John D. Mertens, Albert Y. Chang, Ronald K. Hanson and Craig T. Bowman

    Version of Record online : 30 SEP 2004, DOI: 10.1002/kin.550211107

  4. Aqueous acidities of primary benzenesulfonamides: Quantum chemical predictions based on density functional theory and SMD

    Journal of Computational Chemistry

    Volume 36, Issue 29, November 5, 2015, Pages: 2158–2167, Kęstutis Aidas, Kiril Lanevskij, Rytis Kubilius, Liutauras Juška, Daumantas Petkevičius and Pranas Japertas

    Version of Record online : 7 JUL 2015, DOI: 10.1002/jcc.23998

  5. Multipole expansions of orbital products about an intermediate center

    International Journal of Quantum Chemistry

    Volume 111, Issue 10, 15 August 2011, Pages: 2221–2227, James D. Talman

    Version of Record online : 2 FEB 2010, DOI: 10.1002/qua.22511

  6. Spin-free quantum chemistry: What one can gain from fock's cyclic symmetry

    International Journal of Quantum Chemistry

    Volume 111, Issue 15, December 2011, Pages: 4042–4066, A. V. Luzanov

    Version of Record online : 7 DEC 2010, DOI: 10.1002/qua.22943

  7. Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method

    Journal of Mass Spectrometry

    Volume 30, Issue 1, January 1995, Pages: 17–24, Paul G. Wenthold and Robert R. Squires

    Version of Record online : 14 APR 2005, DOI: 10.1002/jms.1190300105

  8. Characterizing elastic properties of carbon nanotube-based composites by using an equivalent fiber

    Polymer Composites

    Volume 34, Issue 2, February 2013, Pages: 241–251, J.E. Jam, A. Pourasghar, S. kamarian and Sh. Maleki

    Version of Record online : 8 JAN 2013, DOI: 10.1002/pc.22401

  9. Chemical calculations and chemicals that might calculate

    International Journal of Quantum Chemistry

    Volume 109, Issue 8, 2009, Pages: 1640–1657, Michael P. Barnett

    Version of Record online : 23 DEC 2008, DOI: 10.1002/qua.21969

  10. Global superstructure optimization for the design of integrated process water networks

    AIChE Journal

    Volume 57, Issue 2, February 2011, Pages: 434–457, Elvis Ahmetović and Ignacio E. Grossmann

    Version of Record online : 12 APR 2010, DOI: 10.1002/aic.12276

  11. Protonic Acidities and Basicities in the Gas Phase and in Solution: Substituent and Solvent Effects

    Progress in Physical Organic Chemistry, Volume 14

    Robert W. Taft, Pages: 247–350, 2007

    Published Online : 4 APR 2007, DOI: 10.1002/9780470171936.ch6

  12. Stability of a combined finite element - finite volume discretization of convection-diffusion equations

    Numerical Methods for Partial Differential Equations

    Volume 28, Issue 2, March 2012, Pages: 402–424, Paul Deuring and Marcus Mildner

    Version of Record online : 25 OCT 2010, DOI: 10.1002/num.20624

  13. Implementing molecular connectivity theory, a basic tool in modeling drugs

    Journal of Pharmaceutical Sciences

    Volume 96, Issue 8, August 2007, Pages: 1856–1871, Lionello Pogliani

    Version of Record online : 1 JUN 2007, DOI: 10.1002/jps.20862

  14. The effect of alkyl groups on carbanion stability part II. Analysis of α- and β-alkyl substitution on experimental and theoretical acidities

    Berichte der Bunsengesellschaft für physikalische Chemie

    Volume 100, Issue 10, Oktober 1996, Pages: 1723–1728, Nurettin Balcioǧlu, Fatma Sevin, Özden (Özel) Evin and N. Bekir Peynircioǧlu

    Version of Record online : 8 MAY 2010, DOI: 10.1002/bbpc.19961001009

  15. Acidities of strong neutral Brønsted acids in different media

    Journal of Physical Organic Chemistry

    Volume 26, Issue 2, February 2013, Pages: 162–170, Elin Raamat, Karl Kaupmees, Gea Ovsjannikov, Aleksander Trummal, Agnes Kütt, Jaan Saame, Ivar Koppel, Ivari Kaljurand, Lauri Lipping, Toomas Rodima, Viljar Pihl, Ilmar A. Koppel and Ivo Leito

    Version of Record online : 2 MAY 2012, DOI: 10.1002/poc.2946

  16. Equilibrium acidities and homolytic bond dissociation enthalpies of the acidic C[BOND]H bonds in dialkyl malonates and related compounds

    Journal of Physical Organic Chemistry

    Volume 7, Issue 12, December 1994, Pages: 751–756, Xian-Man Zhang and Frederick G. Bordwell

    Version of Record online : 12 OCT 2004, DOI: 10.1002/poc.610071214

  17. Mind the correct basis set: A case study for predicting gas phase acidities of small compounds using calculations from first principles

    International Journal of Quantum Chemistry

    Volume 115, Issue 1, January 5, 2015, Pages: 42–49, Nina Tymińska, Marta Włoch and A. Timothy Royappa

    Version of Record online : 23 SEP 2014, DOI: 10.1002/qua.24792

  18. Fluoro- and Perfluoralkylsulfonylpentafluoroanilides: Synthesis and Characterization of NH Acids for Weakly Coordinating Anions and Their Gas-Phase and Solution Acidities

    Chemistry - A European Journal

    Volume 21, Issue 15, April 7, 2015, Pages: 5769–5782, Julius F. Kögel, Thomas Linder, Fabian G. Schröder, Jörg Sundermeyer, Sascha K. Goll, Daniel Himmel, Ingo Krossing, Karl Kütt, Jaan Saame and Ivo Leito

    Version of Record online : 26 FEB 2015, DOI: 10.1002/chem.201405391

  19. Simulation of drug release from biodegradable polymeric microspheres with bulk and surface erosions

    Journal of Pharmaceutical Sciences

    Volume 92, Issue 10, October 2003, Pages: 2040–2056, Mingping Zhang, Zichao Yang, Li-Ling Chow and Chi-Hwa Wang

    Version of Record online : 30 JUL 2003, DOI: 10.1002/jps.10463

  20. Acidities of radical cations derived from arylacetonitriles

    Journal of Physical Organic Chemistry

    Volume 1, Issue 4, July/August 1988, Pages: 209–223, F. G. Bordwell, Jin-Pei Cheng, Mark J. Bausch and Joseph E. Bares

    Version of Record online : 12 OCT 2004, DOI: 10.1002/poc.610010405