ExLibris header image
SFX Logo
Title: Collision-induced velocity changes from molecular dynamic simulations in H2–Ar: A test of the Keilson–Storer model and of line-broadening/shifting calculations for the Q(1) Raman line
Source:

Journal of Quantitative Spectroscopy & Radiative Transfer [0022-4073] Tran, H yr:2011


Collapse list of basic services Basic
Sorry, no full text available...
Please use the document delivery service (see below)  
Holding information
Holdings in library search engine ALBERT GO
Document delivery
Request document via Library/Bibliothek GO
Users interested in this article also expressed an interest in the following:
1. Hopmann, Kathrin H. "Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra." The journal of physical chemistry. B 115.14 (2011): 4128-4137. Link to Full Text for this item Link to SFX for this item
2. Hudecova, J. "Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method." The journal of physical chemistry. B 116.1 (2012): 336-342. Link to Full Text for this item Link to SFX for this item
3. Dodziuk, H. "Structure and NMR Spectra of Some [2.2]Paracyclophanes. The Dilemma of [2.2]Paracyclophane Symmetry." The journal of physical chemistry. A 115.38 (2011): 10638-10649. Link to Full Text for this item Link to SFX for this item
4. Nieto Ortega, B. "Raman Optical Activity Spectra and Conformational Elucidation of Chiral Drugs. The Case of the Antiangiogenic Aeroplysinin-1." The journal of physical chemistry. A 115.13 (2011): 2752-2755. Link to Full Text for this item Link to SFX for this item
5. Kang, E. "Vibrational frequencies in Car-Parrinello molecular dynamics." PCCP. Physical chemistry chemical physics 12.45 (2010): 14960-14966. Link to Full Text for this item Link to SFX for this item
6. Polavarapu, P. "The absolute configuration of bromochlorofluoromethane." Angewandte Chemie (International ed. in English) 41.23 (2002): 4544-6. Link to Full Text for this item Link to SFX for this item
7. PRASAD, PL. "RAMAN OPTICAL-ACTIVITY - COMPUTATION OF CIRCULAR INTENSITY DIFFERENTIALS FOR BROMOCHLOROFLUOROMETHANE." Journal of the American Chemical Society 101.4 (1979): 806-812. Link to Full Text for this item Link to SFX for this item
8. Cram, D. "Macro rings. XXIX. Stereochemistry of 1,6-cycloaddition reaction." Journal of the American Chemical Society 85 (1963): 1088-. Link to Full Text for this item Link to SFX for this item
9. Barone, V. "Toward anharmonic computations of vibrational spectra for large molecular systems." International journal of quantum chemistry 112.9 (2011): 2185-2200. Link to Full Text for this item Link to SFX for this item
10. Orlando, R. "The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn-Sham Scheme." The journal of physical chemistry. A 115.45 (2011): 12631-12637. Link to Full Text for this item Link to SFX for this item
11. Rosenberg, Marianne L. "Investigation of ligand steric effects on a highly cis-selective Rh(I) cyclopropanation catalyst." New journal of chemistry 35.10 (2011): 2306-2313. Link to Full Text for this item Link to SFX for this item
12. Templeton, Catherine M. "Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix." Chemical senses 36.5 (2011): 425-434. Link to SFX for this item
13. Pfister, J. "Paracyclophanes as Model Compounds for Strongly Interacting π-Systems, Part 3: Influence of the Substitution Pattern on Photoabsorption Properties." The journal of physical chemistry. A 115.15 (2011): 3583-3591. Link to Full Text for this item Link to SFX for this item
14. Yan, H. "Initial Growth of AlInGaN on Polar Gallium Nitride Substrates under Biaxial Strain: First-principle Simulations." International Journal of Nonlinear Sciences and Numerical Simulations 11.7 (2010): 529-533. Link to SFX for this item
15. Bour, P. "Partial optimization of molecular geometry in normal coordinates and use as a tool for simulation of vibrational spectra." The Journal of chemical physics 117.9 (2002): 4126-4132. Link to Full Text for this item Link to SFX for this item
16. Gray-Weale, D. "Ab Initio Study of Water Polarization in the Hydration Shell of Aqueous Hydroxide: Comparison between Polarizable and Nonpolarizable Water Models." Journal of chemical theory and computation 6.9 (2010): 2888-2895. Link to Full Text for this item Link to SFX for this item
17. Hudecova, J. "Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide." The journal of physical chemistry. A 114.28 (2010): 7642-7651. Link to Full Text for this item Link to SFX for this item
18. Blanch, E. "A New Route to Carbohydrate Secondary and Tertiary Structure Using Raman Spectroscopy and Raman Optical Activity." Journal of the American Chemical Society 132.31 (2010): 10654-10655. Link to Full Text for this item Link to SFX for this item
19. Reiher, M. "Basis set and density functional dependence of vibrational Raman optical activity calculations." The journal of physical chemistry. A 109.33 (2005): 7567-7574. Link to Full Text for this item Link to SFX for this item
20. Costante, J. "Absolute configuration of bromochlorofluoromethane from experimental and ab initio theoretical vibrational Raman optical activity." Angewandte Chemie. International edition in English 36.8 (1997): 885-887. Link to Full Text for this item Link to SFX for this item
View More...
View Less...
Select All Clear All

Expand list of advanced services Advanced
A service provided by the Library of the Wissenschaftspark Albert Einstein, Potsdam, Germany.
© 2005 SFX by Ex Libris Inc.