SPECIAL ISSUE PREFACE pubs.acs.org/JPCA
Publications of Victoria Buch 116. Title: Aqueous hydrogen bonding probed with polarization and matrix isolation spectroscopy. Author(s): Shultz, M. J., Bisson, P., Buch, V., Groenzin, H., Li, I. Conference Information: 18th International Conference on Horizons in Hydrogen Bond Research, Sep 1418, 2009. Lab Leon-Brillouin CEA-CNRS, Paris, France. Source: J. Mol. Struct. Volume: 972. Issue: 13 Special. Issue: Sp. Iss. SI. Pages: 5158. Published: May 19 2010. 115. Title: Sugar-salt and sugar-salt-water complexes: structure and dynamics of glucose-KNO3-(H2O)(n). Author(s): Pincu, M., Brauer, B., Gerber, R. B., Buch, V. Source: Phys. Chem. Chem. Phys. Volume: 12. Issue: 14. Pages: 35503558. Published: 2010. 114. Title: Clathrate hydrates with hydrogen-bonding guests. Author(s): Buch, V., Devlin, J. P., Monreal, I. A., JagodaCwiklik, B., Uras-Aytemiz, N., Cwiklik, L. Source: Phys. Chem. Chem. Phys. Volume: 11. Issue: 44. Pages: 1024510265. Published: 2009. 113. Title: Spectroscopic evidence for cyclical aggregation and coalescence of molecular aerosol particles. Author(s): Devlin, J. P., Yinnon, C. A., Buch, V. Source: Phys. Chem. Chem. Phys. Volume: 11. Issue: 36. Pages: 78197825. Published: 2009. 112. Title: Hydroxide Impurity in Ice. Author(s): Cwiklik, L., Devlin, J. P., Buch, V. Source: J. Phys. Chem. A. Volume: 113. Issue: 26. Pages: 74827490. Published: Jul 2 2009. 111. Title: Hydroxide trapped in the interior of ice: a computational study. Author(s): Cwiklik, L., Buch, V. Source: Phys. Chem. Chem. Phys. Volume: 11. Issue: 9. Pages: 12941296. Published: 2009. 110. Title: Spectroscopic and computational evidence for SO2 ionization on 128 K ice surface. Author(s): Jagoda-Cwiklik, B., Devlin, J. P., Buch, V. Source: Phys. Chem. Chem. Phys. Volume: 10. Issue: 32. Pages: 46784684. Published: 2008. 109. Title: Ab initio simulations of sulfuric acid solutions. Author(s): Hammerich, A. D., Buch, V., Mohamed, F. Source: Chem. Phys. Lett. Volume: 460. Issue: 46. Pages: 423431. Published: Jul 30 2008. 108. Title: Monitoring ice nucleation in pure and salty water via high-speed imaging and computer simulations. Author(s): Bauerecker, S., Ulbig, P., Buch, V., Vrbka, L., Jungwirth, P. Source: J. Phys. Chem. C. Volume: 112. Issue: 20. Pages: 76317636. Published: May 22 2008. 107. Title: Proton order in the ice crystal surface. Author(s): Buch, V., Groenzin, H., Lit, I., Shultz, M. J., Tosatti, E. Source: Proc. Natl. Acad. Sci. U. S. A. Volume: 105. Issue: 16. Pages: 59695974. Published: Apr 22 2008. 106. Title: An alternative near-neighbor definition of hydrogen bonding in water. Author(s): Hammerich, A. D., Buch, V. Source: J. Chem. Phys. Volume: 128. Issue: 11 Article Number: 111101. Published: Mar 21 2008. 105. Title: HCl hydrates as model systems for protonated water. Author(s): Buch, V., Dubrovskiy, A., Mohamed, F., Parrinello, M., Sadlej,, J., Hammerich, A. D., Devlin, r 2011 Pavel Jungwirth
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J. P. Source: J. Phys. Chem. A. Volume: 112. Issue: 11. Pages: 21442161. Published: Mar 20 2008. 104. Title: Response to Comment on Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic? by J. K. Beattie, Phys. Chem. Chem. Phys., 2007, 9, DOI: 10.1039/b713702h. Author(s): Vacha, R., Buch, V., Milet, A., Devlin, J. P., Jungwirth, P. Source: Phys. Chem. Chem. Phys. Volume: 10. Issue: 2. Pages: 332333. Published: 2008. 103. Title: The single-crystal, basal face of ice I-h investigated with sum frequency generation. Author(s): Groenzin, H., Li, I., Buch, V., Shultz, M. J. Source: J. Chem. Phys. Volume: 127. Issue: 21 Article Number: 214502. Published: Dec 7 2007. 102. Title: Sum frequency generation surface spectra of ice, water, and acid solution investigated by an exciton model. Author(s): Buch, V., Tarbuck, T., Richmond, G. L., Groenzin, H., Li, I., Shultz, M. J. Source: J. Chem. Phys. Volume: 127. Issue: 20 Article Number: 204710. Published: Nov 28 2007. 101. Title: At the water’s edge: Nitric acid as a weak acid. Author(s): Shamay, E. S., Buch, V., Parrinello, M., Richmond, G. L. Source: J. Am. Chem. Soc. Volume: 129. Issue: 43. Pages: 1291012911. Published: Oct 31 2007. 100. Title: Evidence for the surface origin of point defects in ice: Control of interior proton activity by adsorbates. Author(s): Devlin, J. P., Buch, V. Source: J. Chem. Phys. Volume: 127. Issue: 9 Article Number: 091101. Published: Sep 7 2007. 99. Title: Autoionization at the surface of neat water: is the top layer pH neutral, basic, or acidic?. Author(s): Vacha, R., Buch, V., Milet, A., Devlin, P., Jungwirth, P. Source: Phys. Chem. Chem. Phys. Volume: 9. Issue: 34. Pages: 47364747. Published: 2007. 98. Title: Water surface is acidic. Author(s): Buch, V., Milet, A., Vacha, R., Jungwirth, P., Devlin, J. P. Source: Proc. Natl. Acad. Sci. U. S. A. Volume: 104. Issue: 18. Pages: 73427347. Published: May 1 2007. 97. Title: Elusive structure of HCl monohydrate. Author(s): Buch, V., Mohamed, F., Parrinello, M., Devlin, J. P. Source: J. Chem. Phys. Volume: 126. Issue: 7 Article Number: 074503. Published: Feb 21 2007. 96. Title: A new glance at HCl-monohydrate spectroscopy, using on-the-fly dynamics. Author(s): Buch, V., Mohamed, F., Parrinello, M., Devlin, J. P. Source: J. Chem. Phys. Volume: 126. Issue: 2 Article Number: 021102. Published: Jan 14 2007. 95. Title: The amorphous analogs of the crystalline monohydrate of HCl: Structures and spectra. Author(s): Devlin, J. P., Buch, V., Mohamed, F., Parrinello, M. Source: Chem. Special Issue: Victoria Buch Memorial Published: June 09, 2011 dx.doi.org/10.1021/jp202293d | J. Phys. Chem. A 2011, 115, 5718–5722
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Phys. Lett. Volume: 432. Issue: 46. Pages: 462467. Published: Dec 11 2006. Title: HCl solvation at the surface and within methanol clusters/nanoparticles II: Evidence for molecular wires. Author(s): Uras-Aytemiz, N., Devlin, J. P., Sadlej, J., Buch, V. Source: J. Phys. Chem. B. Volume: 110. Issue: 43. Pages: 2175121763. Published: Nov 2 2006. Title: Exploration of NVE classical trajectories as a tool for molecular crystal structure prediction, with tests on ice polymorphs. Author(s): Buch, V., Martonak, R., Parrinello, M. Source: J. Chem. Phys. Volume: 124. Issue: 20 Article Number: 204705. Published: May 28 2006. Title: HCl solvation in methanol clusters and nanoparticles: Evidence for proton-wires. Author(s): Uras-Aytemiz, N., Devlin, J. P., Sadlej, J., Buch, V. Source: Chem. Phys. Lett. Volume: 422. Issue: 13. Pages: 179183. Published: Apr 28 2006. Title: Molecular structure and OH-stretch spectra of liquid water surface. Author(s): Buch, V. Source: J. Phys. Chem. B. Volume: 109. Issue: 38. Pages: 1777117774. Published: Sep 29 2005. Title: A possible new molecular mechanism of thundercloud electrification. Author(s): Jungwirth, P., Rosenfeld, D., Buch, V. Conference Information: 12th International Conference on Atmospheric Electricity (ICAE), Jun 0912, 2003 Versailles, France. Source: Atmos. Res. Volume: 76. Issue: 14. Pages: 190205. Published: Jul-Aug 2005. Title: A new molecular-dynamics based approach for molecular crystal structure search. Author(s): Buch, V., Martonak, R., Parrinello, M. Source: J. Chem. Phys. Volume: 123. Issue: 5 Article Number: 051108. Published: Aug 1 2005. Title: Experimental and computational study of isotopic effects within the Zundel ion. Author(s): Devlin, J. P., Severson, M. W., Mohamed, F., Buch, V., Parrinello, M. Source: Chem. Phys. Lett. Volume: 408. Issue: 46. Pages: 439444. Published: Jun 17 2005. Title: Rates and mechanisms of conversion of ice nanocrystals to hydrates of HCl and HBr: Acid diffusion in the ionic hydrates. Author(s): Devlin, J. P., Gulluru, D. B., Buch, V. Source: J. Phys. Chem. B. Volume: 109. Issue: 8. Pages: 33923401. Published: Mar 3 2005. Title: Comparative FTIR spectroscopy of HX adsorbed on solid water: Ragout-jet water clusters vs ice nanocrystal arrays. Author(s): Devlin, J. P., Farnik, M., Suhm, M. A., Buch, V. Source: J. Phys. Chem. A. Volume: 109. Issue: 6. Pages: 955958. Published: Feb 17 2005. Title: Solvation states of HCl in mixed ether: acid crystals: A computational study. Author(s): Buch, V., Mohamed, F., Krack, M., Sadlej, J., Devlin, J. P., Parrinello, M. Source: J. Chem. Phys. Volume: 121. Issue: 24. Pages: 1213512138. Published: Dec 22 2004. Title: Calculation of infrared absorption spectra using Gaussian variational wave packets. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 121. Issue: 14. Pages: 69616966. Published: Oct 8 2004. Title: Detection of the book isomer from the OH-stretch spectroscopy of size selected water hexamers. Author(s): Steinbach, C., Andersson, P., Melzer, M., Kazimirski, J. K., Buck, U., Buch, V. Source: Phys. Chem. Chem. Phys. Volume: 6. Issue: 13. Pages: 33203324. Published: Jul 7 2004.
82. Title: Infrared predissociation spectroscopy of large water clusters: A unique probe of cluster surfaces. Author(s): Steinbach, C., Andersson, P., Kazimirski, J. K., Buck, U., Buch, V., Beu, T. A. Source: J. Phys. Chem. A. Volume: 108. Issue: 29. Pages: 61656174. Published: Jul 22 2004. 81. Title: Monte Carlo simulation for the formation of a mixed crystal from two solids in contact. Author(s): Yinnon, C. A., Buch, V., Devlin, J. P. Source: J. Chem. Phys. Volume: 120. Issue: 23. Pages: 1120011208. Published: Jun 15 2004. 80. Title: Solvation stages of HCl and HBr in crystalline phases with methanol and small ethers: Acid-ether cluster complexes in amorphous and crystal phases. Author(s): Devlin, J. P., Sadlej, J., Hollman, M., Buch, V. Source: J. Phys. Chem. A. Volume: 108. Issue: 11. Pages: 20302043. Published: Mar 18 2004. 79. Title: Structure and dynamics of orientational defects in ice I. Author(s): Grishina, N., Buch, V. Source: J. Chem. Phys. Volume: 120. Issue: 11. Pages: 52175225. Published: Mar 15 2004. 78. Title: van der Waals attraction and coalescence of aqueous salt nanodroplets. Author(s): Jungwirth, P., Buch, V. Source: Collect. Czech. Chem. Commun. Volume: 68. Issue: 12. Pages: 22832291. Published: 2003. 77. Title: Search for low energy structures of water clusters (H2O)(n), n = 2022, 48, 123, and 293. Author(s): Kazimirski, J. K., Buch, V. Source: J. Phys. Chem. A. Volume: 107. Issue: 46. Pages: 97629775. Published: Nov 20 2003. 76. Title: Formation and dynamics of water clusters on Ru(001). Author(s): Lilach, Y., Buch, V., Asscher, M. Source: J. Chem. Phys. Volume: 119. Issue: 22. Pages: 1189911905. Published: Dec 8 2003. 75. Title: Dynamics of amorphous water, via migration of 3-and 5-coordinated H2O. Author(s): Grishina, N., Buch, V. Source: Chem. Phys. Lett. Volume: 379. Issue: 56. Pages: 418426. Published: Oct 6 2003. 74. Title: Librational modes of ice I. Author(s): Severson MW, Devlin, J. P., Buch, V. Source: J. Chem. Phys. Volume: 119. Issue: 8. Pages: 44494457. Published: Aug 22 2003. 73. Title: Water cage clusters (H2O)(n) from n = 6 to 12: Do they model liquid water?. Author(s): Sadlej, J., Buch, V. Conference Information: first Japanese-Polish Seminar on Advances in Hydrogen Bond Research, Jun 0608, 2002 Tsukuba, Japan. Source: Bull. Pol. Acad. Sci.—Chem. Volume: 50. Issue: 4. Pages: 403422. Published: Dec 2002. 72. Title: Solvation and ionization stages of HCI on ice nanocrystals. Author(s): Buch, V., Sadlej, J., Aytemiz-Uras, N., Devlin, J. P. Source: J. Phys. Chem. A. Volume: 106. Issue: 41. Pages: 93749389. Published: Oct 17 2002. 71. Title: Exploration of multidimensional variational Gaussian wave packets as a simulation tool. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 117. Issue: 10. Pages: 4738 4750. Published: Sep 8 2002. 70. Title: Israeli concern about Palestinian suffering. Author(s): Buch, V. Source: Nature. Volume: 418. Issue: 6897. Pages: 479479. Published: Aug 1 2002. 69. Title: Discrete stages in the solvation and ionization of hydrogen chloride adsorbed on ice particles. Author(s): Devlin, J. P., Uras, N., Sadlej, J., Buch, V. Source: Nature. Volume: 417. Issue: 6886. Pages: 269271. Published: May 16 2002. 5719
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68. Title: Intermolecular potentials for ammonia-aqueous mixture. Author(s): Rzepkowska, J., Uras, N., Sadlej, J., Buch, V. Source: J. Phys. Chem. A. Volume: 106. Issue: 9. Pages: 17901796. Published: Mar 7 2002. 67. Title: Isomerization and melting-like transition of sizeselected water nonamers. Author(s): Brudermann, J., Buck, U., Buch, V. Source: J. Phys. Chem. A. Volume: 106. Issue: 3. Pages: 453457. Published: Jan 24 2002. 66. Title: Infrared spectra of large H2O clusters: New understanding of the elusive bending mode of ice. Author(s): Devlin, J. P., Sadlej, J., Buch, V. Source: J. Phys. Chem. A. Volume: 105. Issue: 6. Pages: 974983. Published: Feb 15 2001. 65. Title: Hydrogen bond surface chemistry: Interaction of NH3 with an ice particle. Author(s): Uras, N., Buch, V., Devlin, J. P. Source: J. Phys. Chem. B. Volume: 104. Issue: 39. Pages: 92039209. Published: Oct 5 2000. 64. Title: Surface vibrations of large water clusters by helium atom scattering. Author(s): Brudermann, J., Lohbrandt, P., Buck, U., Buch, V. Source: J. Chem. Phys. Volume: 112. Issue: 24. Pages: 1103811047. Published: Jun 22 2000. 63. Title: Infrared spectra and structures of large water clusters. Author(s): Devlin, J. P., Joyce, C., Buch, V. Source: J. Phys. Chem. A. Volume: 104. Issue: 10. Pages: 19741977. Published: Mar 16 2000. 62. Title: Covalent and ionic stales of strong acids at the ice surface. Author(s): Devlin, J. P., Uras, N., Rahman, M., Buch, V. Conference Information: Reserch Workshop on Proton Solvation and Proton Mobility, 1998 Neve Ilan, Israel. Source: Isr. J. Chem. Volume: 39. Issue: 34. Pages: 261272. Published: 1999. 61. Title: Quantum Monte Carlo simulation of intermolecular excited vibrational states in the cage water hexamer. Author(s): Severson, M. W., Buch, V. Source: J. Chem. Phys. Volume: 111. Issue: 24. Pages: 1086610875. Published: Dec 22 1999. 60. Title: Structure and dynamics of orientational defects in ice. Author(s): Podeszwa R, Buch, V. Source: Phys. Rev. Lett. Volume: 83. Issue: 22. Pages: 45704573. Published: Nov 29 1999 58. Title: Discovery of solid HDO in grain mantles. Author(s): Teixeira, T. C., Devlin, J. P., Buch, V., Emerson, J. P. Source: Astron. Astrophys. Volume: 347. Issue: 2. Pages: L19-L22. Published: Jul 1999 59. Title: Discovery of solid HDO in grain mantles. Author(s): Teixeira, T. C., Devlin, J. P., Buch, V., Emerson, J. P. Source: Astron. Astrophys. Volume: 347. Issue: 2. Pages: L19-L22. Published: Jul 1999. 58. Title: Theoretical study of structure and spectra of cage clusters (H2O)(n), n = 710. Author(s): Sadlej, J., Buch, V., Kazimirski, J. K., Buck, U. Source: J. Phys. Chem. A. Volume: 103. Issue: 25. Pages: 49334947. Published: Jun 24 1999. 57. Title: Structure of ice multilayers on metals. Author(s): Witek, H., Buch, V. Source: J. Chem. Phys. Volume: 110. Issue: 6. Pages: 31683175. Published: Feb 8 1999. 56. Title: A new interpretation of the OH-stretch spectrum of ice. Author(s): Buch, V., Devlin, J. P. Source: J. Chem. Phys. Volume: 110. Issue: 7. Pages: 34373443. Published: Feb 15 1999. 55. Title: Simulations of H2O solid, liquid, and clusters, with an emphasis on ferroelectric ordering transition in hexagonal ice. Author(s): Buch, V., Sandler, P., Sadlej, J.
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Source: J. Phys. Chem. B. Volume: 102. Issue: 44. Pages: 86418653. Published: Oct 29 1998. Title: Surface vibrations of large water clusters by He atom scattering. Author(s): Brudermann, J., Lohbrandt, P., Buck, U., Buch, V. Source: Phys. Rev. Lett. Volume: 80. Issue: 13. Pages: 28212824. Published: Mar 30 1998. Title: Structure and spectra of three-dimensional (H2O)(n) clusters, n = 8, 9, 10. Author(s): Buck, U., Ettischer, I., Melzer, M, Buch, V., Sadlej, J. Source: Phys. Rev. Lett. Volume: 80. Issue: 12. Pages: 25782581. Published: Mar 23 1998. Title: Intramolecular excitations in the H2O center dot center dot CO complex studied by diffusion Monte Carlo and ab initio calculations. Author(s): Sandler, P., Sadlej, J., Feldmann, T., Buch, V. Source: J. Chem. Phys. Volume: 107. Issue: 13. Pages: 50225031. Published: Oct 1 1997. Title: Structural relaxation rates near the ice surface: Basis for separation of the surface and subsurface spectra. Author(s): Delzeit, L., Devlin, J. P., Buch, V. Source: J. Chem. Phys. Volume: 107. Issue: 9. Pages: 37263729. Published: Sep 1 1997. Title: Vibrational spectroscopy and modeling of the surface and subsurface of ice and of ice-adsorbate interactions. Author(s): Devlin, J. P., Buch, V. Conference Information: Symposium on Physics and Chemistry of Ice 1996, Aug 2731, 1996, Hanover, NH. Source: J. Phys. Chem. B. Volume: 101. Issue: 32. Pages: 60956098. Published: Aug 7 1997. Title: Modeling of interstellar surface processes. Author(s): Buch, V., Devlin, J. P. Conference Information: 178th Symposium of the International-Astronomical-Union on Molecules in Astrophysics - Probes and Processes, Jul 0105, 1996 Leiden, The Netherlands. Source: Molecules in Astrophysics: Probes and Processes, Book Series: IAU Symposia. Issue: 178. Pages: 321330. Published: 1997. Title: FT-IR spectra of nanoparticles: Surface and adsorbate modes. Author(s): Devlin, J. P., Buch, V. Conference Information: 10th International Conference on Fourier Transform Spectroscopy (ICOFTS), Aug 27Sep 01, 1995 Budapest, HUNGARY. Source: Mikrochim. Acta. Pages: 5766. Supplement: Suppl. 14. Published: 1997. Title: Ground and excited states of the complex of CO with water: A diffusion Monte Carlo study. Author(s): Sandler, P., Buch, V., Sadlej, J. Source: J. Chem. Phys. Volume: 105. Issue: 23. Pages: 1038710397. Published: Dec 15 1996. Title: Adsorbate-induced partial ordering of the irregular surface and subsurface of crystalline ice. Author(s): Delzeit, L., Devlin, M. S., Rowland, B., Devlin, J. P., Buch, V. Source: J. Phys. Chem. Volume: 100. Issue: 24. Pages: 1007610082. Published: Jun 13 1996. Title: Structure of the ice nanocrystal surface from simulated versus experimental spectra of adsorbed CF4. Author(s): Buch, V., Delzeit, L., Blackledge, C., Devlin, J. P. Source: J. Phys. Chem. Volume: 100. Issue: 9. Pages: 37323744. Published: Feb 29 1996. Title: Symmetry Loss As a Criterion for Cluster Melting, with Application to (D-2)(13). Author(s): Buch, V., Gershgoren E, Helor HZ, Avnir D. Source: Chem. Phys. Lett. Volume: 247. Issue: 12. Pages: 149153. Published: Dec 15 1995. dx.doi.org/10.1021/jp202293d |J. Phys. Chem. A 2011, 115, 5718–5722
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43. Title: Surface of Ice As Viewed from Combined Spectroscopic and Computer Modeling Studies. Author(s): Devlin, J. P., Buch, V. Source: J. Phys. Chem. Volume: 99. Issue: 45. Pages: 1653416548. Published: Nov 9 1995. 42. Title: Infrared-Spectra of Ice Surfaces and Assignment of Surface-Localized Modes from Simulated Spectra of Cubic Ice. Author(s): Rowland, B., Kadagathur, N. S., Devlin, J. P., Buch, V., Feldman, T., Wojcik. M. J. Source: J. Chem. Phys. Volume: 102. Issue: 21. Pages: 83288341. Published: Jun 1 1995. 41. Title: Collisional Excitation of H-2-Molecules by H-Atoms. Author(s): Lepp, S., Buch, V., Dalgarno, A. Source: Astrophys. J. Suppl. Ser. Volume: 98. Issue: 1. Pages: 345349. Published: May 1995. 40. Title: Vibrational-Spectra of Water Complexes with H-2, N-2, and CO. Author(s): Sadlej, J., Rowland, B., Devlin, J. P., Buch, V. Source: J. Chem. Phys. Volume: 102. Issue: 12. Pages: 48044818. Published: Mar 22 1995. 39. Title: Spectroscopic and Simulation Study of Ice Surfaces Bare and with Adsorbates. Author(s): Devlin, J. P., Silva, S. C., Rowland, B., Buch, V. Conference Information: NATO Advanced Research Workshop on Hydrogen Bond Networks, Aug 1622, 1993 Cargese, France. Source: Hydrogen Bond Networks, Book Series: NATO Advanced Science Institutes Series, Series C, Mathematical and Physical Sciences. Volume: 435. Pages: 373380. Published: 1994. 38. Title: Calculation of Expectation Values of MolecularSystems Using Diffusion Monte-Carlo in Conjunction with the Finite-Field Method. Author(s): Sandler, P., Buch, V., Clary, D. C. Source: J. Chem. Phys. Volume: 101. Issue: 7. Pages: 63536355. Published: Oct 1 1994. 37. Title: Interpretation of the 4141 Inverse Centimeters (2.415 Microns) Interstellar Infrared-Absorption Feature. Author(s): Buch, V., Devlin, J. P. Source: Astrophys. J. Volume: 431. Issue: 2. Pages: L135L138. Part: Part 2. Published: Aug 20 1994. 36. Title: The Complex of N-2 with H2O, D2O, and HDO - A Combined Ab-Initio and Diffusion Monte-Carlo Study. Author(s): Sandler, P., Jung, J. O., Szczesniak, M. M., Buch, V. Source: J. Chem. Phys. Volume: 101. Issue: 2. Pages: 13781391. Published: Jul 15 1994. 35. Title: Path-Integral Simulations of Mixed Para-D-2 and Ortho-D-2 Clusters - The Orientational Effects. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 100. Issue: 10. Pages: 76107629. Published: May 15 1994. 34. Title: Ab-Initio Study of the Intermolecular Potential of the Water-Carbon Monoxide Complex. Author(s): Sadlej, J., Buch, V. Source: J. Chem. Phys. Volume: 100. Issue: 6. Pages: 42724283. Published: Mar 15 1994. 33. Title: Spectra of Isotopic Ice Mixtures. Author(s): Wojcik, M. J., Buch, V., Devlin, J. P. Source: J. Chem. Phys. Volume: 99. Issue: 4. Pages: 23322344. Published: Aug 15 1993. 32. Title: Rotational Spectrum of a Quantum Rotor Adsorbed on a Rough and Disordered Surface - Para-H-2 and OrthoH-2 on Amorphous Ice. Author(s): Buch, V., Silva, S. C., Devlin, J. P. Source: J. Chem. Phys. Volume: 99. Issue: 3. Pages: 22652268. Published: Aug 1 1993. 31. Title: Preferential Adsorption of Ortho-H-2 with Respect to Para-H-2 on the Amorphous Ice Surface. Author(s): Buch, V., Devlin, J. P. Source: J. Chem. Phys. Volume: 98. Issue: 5. Pages: 41954206. Published: Mar 1 1993.
30. Title: Experimental and Simulated Vibrational-Spectra of H-2 Absorbed in Amorphous Ice - Surface-Structures, Energetics, and Relaxations. Author(s): Hixson, H. G., Wojcik, M. J., Devlin, M. S., Devlin, J. P., Buch, V. Source: J. Chem. Phys. Volume: 97. Issue: 2. Pages: 753767. Published: Jul 15 1992. 29. Title: Treatment of Rigid Bodies by Diffusion Monte-Carlo Application to the Para-H2...H2O and Ortho-H2...H2O Clusters. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 97. Issue: 1. Pages: 726729. Published: Jul 1 1992. 28. Title: Intermolecular Potential of H2O...H2 in the Van der Waals Region - An Ab Initio Study. Author(s): Zhang, Q., Chenyang, L., Ma, Y., Fish, F., Szczesniak, M. M., Buch, V. Source: J. Chem. Phys. Volume: 96. Issue: 8. Pages: 60396047. Published: Apr 15 1992. 27. Title: Growth and Structure of Amorphous Ice Condensates - A Computational Study 0.2. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 96. Issue: 5. Pages: 38143823. Published: Mar 1 1992. 26. Title: Eigenstates of a Quantum-Mechanical Particle on a Topologically Disordered Surface - H(D) Atom Physisorbed on an Amorphous Ice Cluster (H2O)115. Author(s): Buch, V., Czerminski, R. Source: J. Chem. Phys. Volume: 95. Issue: 8. Pages: 60266038. Published: Oct 15 1991. 25. Title: Sticking Probability of H and D Atoms on Amorphous Ice - A Computational Study. Author(s): Buch, V., Zhang, Q. Source: Astrophys. J. Volume: 379. Issue: 2. Pages: 647652. Part: Part 1. Published: Oct 1 1991. 24. Title: Potential-Energy Surface of H...H2O. Author(s): Zhang, Q., Sabelli, N., Buch, V. Source: J. Chem. Phys. Volume: 95. Issue: 2. Pages: 10801085. Published: Jul 15 1991. 23. Title: Spectra of Dangling OH Bonds in Amorphous Ice Assignment to 2-Coordinated and 3-Coordinated Surface Molecules. Author(s): Buch, V., Devlin, J. P. Source: J. Chem. Phys. Volume: 94. Issue: 5. Pages: 40914092. Published: Mar 1 1991. 22. Title: Infrared-Spectrum of a Chemisorbed Molecule Computational Aspects, Analysis of Experimental-Data for Ethylidyne on Pt(111). Author(s): Johnson, W. G., Buch, V., Trenary, M. Source: J. Chem. Phys. Volume: 93. Issue: 12. Pages: 91679179. Published: Dec 15 1990. 21. Title: Identification of 2 Distinct Structural and Dynamic Domains in an Amorphous Water Cluster. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 93. Issue: 4. Pages: 26312639. Published: Aug 15 1990. 20. Title: Computational Study of Formation Dynamics and Structure of Amorphous Ice Condensates. Author(s): Zhang, Q., Buch, V. Source: J. Chem. Phys. Volume: 92. Issue: 8. Pages: 50045016. Published: Apr 15 1990. 19. Title: Condensation and Structure of Amorphous Ices - A Computational Study. Author(s): Zhang, Q., Buch, V. Source: J. Chem. Phys. Volume: 92. Issue: 2. Pages: 15121513. Published: Jan 15 1990. 18. Title: Direct Photodissociation of Ch Bonds in PAHS Implications for the Infrared-Emission Bands. Author(s): Buch, V. Conference Information: Symposium on Interstellar Dust, Jul 2630, 1988 Santa Clara University, Santa Clara, CA. Source: Interstellar Dust: Contributed Papers, Book Series: NASA Conference. Publication. Volume: 3036. Pages: 171171. Published: 1989. 5721
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The Journal of Physical Chemistry A
SPECIAL ISSUE PREFACE
17. Title: Sticking Probability of Light-Atoms on the Graphite (0001) Surface. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 91. Issue: 8. Pages: 49744984. Published: Oct 15 1989. 16. Title: Spikes in the Sticking Probability of Light Gas Particles on Solid-Surfaces. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 91. Issue: 6. Pages: 37883791. Published: Sep 15 1989. 15. Title: Direct Photodissociation of CH Bonds in Polycyclic Aromatic-Hydrocarbons - Implications for the InfraredEmission Bands. Author(s): Buch, V. Source: Astrophys. J. Volume: 343. Issue: 1. Pages: 208211. Part: Part 1. Published: Aug 1 1989. 14. Title: Trapping of Atoms on Disordered Corrugated Surfaces - A Statistical Wave-Function Approach. Author(s): Buch, V. Source: J. Chem. Phys. Volume: 86. Issue: 6. Pages: 36273639. Published: Mar 15 1987. 13. Title: A Statistical Wavefunction Model for C-H/C-D Overtone Linewidths - Application to C6H6, C6D6, C6HD5, C6HF5. Author(s): Buch, V., Gerber R. B., Ratner, M. A. Source: J. Chem. Phys. Volume: 81. Issue: 8. Pages: 33933399. Published: 1984. 12. Title: Spacings Distribution for Highly Excited Vibrational-States - Role of Dynamical Symmetry. Author(s): Benjamin, I., Buch, V., Gerber, R. B., Levine, R. D. Source: Chem. Phys. Lett. Volume: 107. Issue: 6. Pages: 515521. Published: 1984. 11. Title: Dissociation Dynamics of AR3 in the Time-Dependent Self-Consistent Field (TDSCF) Approximation. Author(s): Buch, V., Gerber, R. B., Ratner, M. A. Source: Chem. Phys. Lett. Volume: 101. Issue: 1. Pages: 4448. Published: 1983. 10. Title: Dissociation Dynamics of Vibrationally Excited Van der Waals Clusters - I2XY-]I2þXþY(X,Y = HE,NE). Author(s): Schatz, G. C., Buch, V., Ratner, M. A., Gerber, R. B. Source: J. Chem. Phys. Volume: 79. Issue: 4. Pages: 18081822. Published: 1983. 9. Title: Simplified Time-Dependent Self-Consistent Field Approximation for Intramolecular Dynamics. Author(s): Gerber R. B., Ratner, M. A., Buch, V. Source: Chem. Phys. Lett. Volume: 91. Issue: 3. Pages: 173177. Published: 1982. 8. Title: Properties of Vibrationally Excited Polyatomic-Molecules and Their Energy Variation - Transition-Moment and Energy Spacing Distributions. Author(s): Buch, V., Ratner, M. A., Gerber, R. B. Source: Mol. Phys. Volume: 46. Issue: 5. Pages: 11291140. Published: 1982. 7. Title: Time-Dependent Self-Consistent Field Approximation for Intramolecular Energy-Transfer 0.1. Formulation and Application to Dissociation of Van der Waals Molecules. Author(s): Gerber, R. B., Buch, V., Ratner, M. A. Source: J. Chem. Phys. Volume: 77. Issue: 6. Pages: 3022 3030. Published: 1982. 6. Title: Statistical Wavefunction Method for Highly Excited Vibrational-States of Polyatomic-Molecules. Author(s): Gerber, R. B., Buch, V., Ratner, M. A. Source: Chem. Phys. Lett. Volume: 89. Issue: 2. Pages: 171173. Published: 1982. 5. Title: Distributions of Energy Spacings and Wavefunction Properties in Vibrationally Excited-States of PolyatomicMolecules 0.1. Numerical Experiments on Coupled Morse Oscillators. Author(s): Buch, V., Gerber, R. B. Source: J. Chem. Phys. Volume: 76. Issue: 11. Pages: 53975404. Published: 1982.
4. Title: A Semi-Classical Approximation for Matrix-Elements Involving Non-Orthogonal Bound-States. Author(s): Buch, V., Ratner, M. A., Gerber, R. B. Source: Mol. Phys. Volume: 42. Issue: 2. Pages: 497500. Published: 1981. 3. Title: The Semi-Classical Self-Consistent-Field (SC-SCF) Approach to Energy-Levels of Coupled Vibrational-Modes 0.2. The Semi-Classical State-Interaction Procedure. Author(s): Ratner, M. A., Buch, V., Gerber, R. B. Source: Chem. Phys. Volume: 53. Issue: 3. Pages: 345356. Published: 1980. 2. Title: Direct Inversion of Rotationally Inelastic CrossSections - Determination of the Anisotropic NE-D2 Potential. Author(s): Gerber, R. B., Buch, V., Buck, U., Maneke, G., Schleusener, J. Source: Phys. Rev. Lett. Volume: 44. Issue: 21. Pages: 13971400. Published: 1980. 1. Title: Direct Inversion Method for Obtaining Anisotropic Potentials from Rotationally Inelastic and Elastic CrossSections. Author(s): Gerber, R. B., Buch, V., Buck, U. Source: J. Chem. Phys. Volume: 72. Issue: 6. Pages: 35963603. Published: 1980.
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dx.doi.org/10.1021/jp202293d |J. Phys. Chem. A 2011, 115, 5718–5722
