Citation: V. Buch et al., SIMULATIONS OF H2O SOLID, LIQUID, AND CLUSTERS, WITH AN EMPHASIS ON FERROELECTRIC ORDERING TRANSITION IN HEXAGONAL ICE, JOURNAL OF PHYSICAL CHEMISTRY B, 102(44), 1998, pp. 8641-8653
Citation: Jp. Devlin et V. Buch, VIBRATIONAL SPECTROSCOPY AND MODELING OF THE SURFACE AND SUBSURFACE OF ICE AND OF ICE-ADSORBATE INTERACTIONS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(32), 1997, pp. 6095-6098
Citation: L. Delzeit et al., STRUCTURAL RELAXATION RATES NEAR THE ICE SURFACE - BASIS FOR SEPARATION OF THE SURFACE AND SUBSURFACE SPECTRA, The Journal of chemical physics, 107(9), 1997, pp. 3726-3729
Citation: P. Sandler et al., INTRAMOLECULAR EXCITATIONS IN THE H2O-CENTER-DOT-CENTER-DOT-CO COMPLEX STUDIED BY DIFFUSION MONTE-CARLO AND AB-INITIO CALCULATIONS, The Journal of chemical physics, 107(13), 1997, pp. 5022-5031
Citation: V. Buch et al., STRUCTURE OF THE ICE NANOCRYSTAL SURFACE FROM SIMULATED VERSUS EXPERIMENTAL SPECTRA OF ADSORBED CF4, Journal of physical chemistry, 100(9), 1996, pp. 3732-3744
Authors:
DELZEIT L
DEVLIN MS
ROWLAND B
DEVLIN JP
BUCH V
Citation: L. Delzeit et al., ADSORBATE-INDUCED PARTIAL ORDERING OF THE IRREGULAR SURFACE AND SUBSURFACE OF CRYSTALLINE ICE, Journal of physical chemistry, 100(24), 1996, pp. 10076-10082
Citation: P. Sandler et al., GROUND AND EXCITED-STATES OF THE COMPLEX OF CO WITH WATER - A DIFFUSION MONTE-CARLO STUDY, The Journal of chemical physics, 105(23), 1996, pp. 10387-10397
Citation: Jp. Devlin et V. Buch, SURFACE OF ICE AS VIEWED FROM COMBINED SPECTROSCOPIC AND COMPUTER MODELING STUDIES, Journal of physical chemistry, 99(45), 1995, pp. 16534-16548
Authors:
ROWLAND B
KADAGATHUR NS
DEVLIN JP
BUCH V
FELDMAN T
WOJCIK MJ
Citation: B. Rowland et al., INFRARED-SPECTRA OF ICE SURFACES AND ASSIGNMENT OF SURFACE-LOCALIZED MODES FROM SIMULATED SPECTRA OF CUBIC ICE, The Journal of chemical physics, 102(21), 1995, pp. 8328-8341
Citation: J. Sadlej et al., VIBRATIONAL-SPECTRA OF WATER COMPLEXES WITH H-2, N-2, AND CO, The Journal of chemical physics, 102(12), 1995, pp. 4804-4818
Citation: V. Buch et al., SYMMETRY LOSS AS A CRITERION FOR CLUSTER MELTING, WITH APPLICATION TO(D-2)(13), Chemical physics letters, 247(1-2), 1995, pp. 149-153
Citation: P. Sandler et al., CALCULATION OF EXPECTATION VALUES OF MOLECULAR-SYSTEMS USING DIFFUSION MONTE-CARLO IN CONJUNCTION WITH THE FINITE-FIELD METHOD, The Journal of chemical physics, 101(7), 1994, pp. 6353-6355
Citation: P. Sandler et al., THE COMPLEX OF N-2 WITH H2O, D2O, AND HDO - A COMBINED AB-INITIO AND DIFFUSION MONTE-CARLO STUDY, The Journal of chemical physics, 101(2), 1994, pp. 1378-1391
Citation: J. Sadlej et V. Buch, AB-INITIO STUDY OF THE INTERMOLECULAR POTENTIAL OF THE WATER-CARBON MONOXIDE COMPLEX, The Journal of chemical physics, 100(6), 1994, pp. 4272-4283
Citation: V. Buch, PATH-INTEGRAL SIMULATIONS OF MIXED PARA-D-2 AND ORTHO-D-2 CLUSTERS - THE ORIENTATIONAL EFFECTS, The Journal of chemical physics, 100(10), 1994, pp. 7610-7629
Citation: V. Buch et Jp. Devlin, INTERPRETATION OF THE 4141 INVERSE CENTIMETERS (2.415 MICRONS) INTERSTELLAR INFRARED-ABSORPTION FEATURE, The Astrophysical journal, 431(2), 1994, pp. 120000135-120000138
Citation: V. Buch et al., ROTATIONAL SPECTRUM OF A QUANTUM ROTOR ADSORBED ON A ROUGH AND DISORDERED SURFACE - PARA-H-2 AND ORTHO-H-2 ON AMORPHOUS ICE, The Journal of chemical physics, 99(3), 1993, pp. 2265-2268