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	An Evaluation of Harmonic Vibrational Frequency Scale Factors [My Copy] The Journal of Physical Chemistry A, Vol. 111, No. 45. (1 November 2007), pp. 11683-11700. by Jeffrey P. Merrick, Damian Moran, Leo Radom posted to vibrational scale factors by vpar on 2009-11-29 00:12:33 as along with 1 person zfekete
	Computational characterization of the β,β-carotene molecule [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 913, No. 1-3. (15 November 2009), pp. 215-220. by Teresita Ruiz-Anchondo, Daniel Glossman-Mitnik posted to vdw m05-2 ir by vpar on 2009-11-29 00:12:01 as
	Why colchicine does not show mutarotation. With M05-2X density functional in the realm of tricky natural products [My Copy] Journal of Physical Organic Chemistry, Vol. 20, No. 12. (2007), pp. 1102-1107. by Francesco Pietra posted to vdw m05-2 by vpar on 2009-11-29 00:11:17 as
	Toward spectroscopic studies of biologically relevant systems: Vibrational spectrum of adenine as a test case for performances of long-range/dispersion corrected density functionals [My Copy] Chemical Physics Letters, Vol. 475, No. 1-3. (16 June 2009), pp. 105-110. by Malgorzata Biczysko, Pawel Panek, Vincenzo Barone posted to vdw m05-2 by vpar on 2009-11-29 00:10:47 as
	Molecular Tweezers as Synthetic Receptors: Molecular Recognition of Electron-Deficient Aromatic Substrates by Chemically Bonded Stationary Phases [My Copy] European Journal of Organic Chemistry, Vol. 1999, No. 11. (1999), pp. 2741-2749. by Markus Kamieth, Ulrich Burkert, Perry S. Corbin, Steven J. Dell, Steven C. Zimmerman, Frank-Gerrit Klärner posted to interaction complex by vpar on 2009-11-19 09:08:08 as
	Ionic Liquids Based on FeCl3 and FeCl2. Raman Scattering and ab Initio Calculations [My Copy] Inorganic Chemistry, Vol. 40, No. 10. (1 May 2001), pp. 2298-2304. by Melissa S. Sitze, Eric R. Schreiter, Eric V. Patterson, R. Griffith Freeman posted to ir ecp by vpar on 2009-11-10 15:25:38 as
	Molecular Tweezers and Clips as Synthetic Receptors. Molecular Recognition and Dynamics in Receptor−Substrate Complexes [My Copy] Accounts of Chemical Research, Vol. 36, No. 12. (1 December 2003), pp. 919-932. by Frank-Gerrit Klarner, Bjorn Kahlert posted to pi-pi complex by vpar on 2009-11-07 22:35:50 as
	Bridged bis-Tröger’s base molecular tweezers as new cavitand family [My Copy] Collection of Czechoslovak Chemical Communications, Vol. 74, No. 7-8. (16 July 2009), pp. 1091-1099. by Martin Havlík, Václav Parchaňský, Petr Bouř, Vladimír Král, Bohumil Dolensky posted to no-tag by vpar on 2009-11-07 19:08:26 as
	Modeling of a Tröger’s tweezer and its complexation properties [My Copy] Journal of Molecular Structure, Vol. 934, No. 1-3. (30 September 2009), pp. 117-122. by Václav Parchaňský, Pavel Matějka, Bohumil Dolenský, Martin Havlík, Petr Bouř posted to no-tag by vpar on 2009-11-07 19:05:56 as
	Vibrational spectra : principles and applications with emphasis on optical activity [My Copy] (1998) by Prasad L. Polavarapu posted to vibrational textbook raman ir by vpar on 2009-11-01 11:51:00 as
	Modern magnetic resonance [My Copy] (2006) by Graham A. Webb edited by Graham A. Webb posted to textbook nmr by vpar on 2009-11-01 11:29:21 as
	Protein structure determination in solution by NMR spectroscopy. [My Copy] Journal of Biological Chemistry, Vol. 265, No. 36. (25 December 1990), pp. 22059-22062. by K. WÃ¼thrich posted to protein nmr by vpar on 2009-10-31 22:14:52 as along with 2 people siggi84 hadesnumb
	Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interest [My Copy] Phys. Chem. Chem. Phys., Vol. 9, No. 41. (2007), pp. 5555-5560. by Kevin E. Riley, Jiri Vondrasek, Pavel Hobza posted to complex vdw by vpar on 2009-07-01 11:22:08 as
	Assessment of long-range corrected functionals performance for n --> pi[sup ] transitions in organic dyes [My Copy] The Journal of Chemical Physics*, Vol. 127, No. 9. (2007), 094102. by Denis Jacquemin, Eric A. Perpète, Oleg A. Vydrov, Gustavo E. Scuseria, Carlo Adamo posted to complex correction functional by vpar on 2009-05-23 12:52:28 as
	A detailed, convenient preparation of dimethyl 1,2,4,5-tetrazine-3,6-dicarboxylate [My Copy] The Journal of Organic Chemistry, Vol. 50, No. 25. (1 December 1985), pp. 5377-5379. by Dale L. Boger, Robert S. Coleman, James S. Panek, F. X. Huber, J. Sauer posted to preparation tetrazine by vpar on 2009-05-13 07:22:03 as
	s-Tetrazine in Aqueous Solution: A Density Functional Study of Hydrogen Bonding and Electronic Excitations [My Copy] The Journal of Physical Chemistry A, Vol. 108, No. 11. (1 March 2004), pp. 2044-2052. by Michael Odelius, Barbara Kirchner, Jurg Hutter posted to tetrazine by vpar on 2009-05-10 22:57:39 as
	Ab initio study of the structures and dynamic stereochemistry of biaryls [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 717, No. 1-3. (17 March 2005), pp. 41-51. by D. Norishargh, S. Asadzadeh, F. Ghanizadeh, F. Deyhimi, M. Amini, S. Jamehbozorghi posted to binaphtyl by vpar on 2009-03-31 11:45:55 as
	Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes [My Copy] Journal of the American Chemical Society, Vol. 126, No. 12. (1 March 2004), pp. 4007-4016. by Andreas Dreuw, Martin Head-Gordon posted to charge-transfer complex pi-pi by vpar on 2009-03-23 19:45:41 as along with 2 people beloviedo henk_eshuis
	Geometry of the Lowest Triplet State of Benzene [My Copy] The Journal of Chemical Physics, Vol. 46, No. 4. (1967), pp. 1432-1443. by G. C. Nieman, D. S. Tinti posted to flourescence triplet by vpar on 2009-03-11 12:31:52 as
	Aromatic interactions in model systems [My Copy] Current Opinion in Chemical Biology, Vol. 6, No. 6. (01 December 2002), pp. 736-741. by M. Waters posted to complex interaction by vpar on 2009-01-28 15:04:08 as
	Relative contribution of charge-transfer and electrostatic force in donor-acceptor complexes of pi-pi* type. [My Copy] Indian Journal of Chemistry, Vol. 32A, No. 2. (1993), pp. 161-164. by Aditya, Nupur, Basu, Rama posted to charge-transfer complex pi-pi by vpar on 2009-01-28 13:58:02 as
	Electronic absorption spectra of molecules and aggregates with interatomic charge transfer using a normal mode treatment of the atomic monopole–dipole interaction model. [My Copy] Journal of Chemical Physics, Vol. 104, No. 16. (19960422) by Balasubramaniam Shanker, Jon Applequist posted to charge-transfer complex by vpar on 2009-01-28 13:48:29 as
	Charge-Transfer Formation and Geometry of the Naphthalene−Trimethylamine van der Waals Complex [My Copy] The Journal of Physical Chemistry A, Vol. 104, No. 33. (2000), pp. 7785-7792. by Darren P. Andrews, Godfrey S. Beddard, Benjamin J. Whitaker posted to charge-transfer complex vdw by vpar on 2009-01-28 13:46:00 as
	Charge transfer complexes of methylnaphthalene derivatives with TCNE in CCI4 [My Copy] Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 58, No. 1. (1 January 2002), pp. 161-166. by M. Ayad posted to charge-transfer complex by vpar on 2009-01-28 13:44:03 as
	Spectroscopic studies of charge transfer complexes between colchicine and some π acceptors [My Copy] Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 67, No. 3-4. (July 2007), pp. 573-577. by M. Arslan, H. Duymus posted to charge-transfer by vpar on 2009-01-28 13:33:42 as
	Spectroscopy of charge transfer complexes of four amino acids as organic two-dimensional conductors [My Copy] Journal of Physics: Condensed Matter, Vol. 19, No. 48. (2007), 486214. by Ashvin Padhiyar, A. J. Patel, A. T. Oza posted to charge-transfer by vpar on 2009-01-28 13:31:51 as
	MP2, DFT-D, and PCM study of the HMB-TCNE complex: Thermodynamics, electric properties, and solvent effects [My Copy] International Journal of Quantum Chemistry, Vol. 108, No. 9. (2008), pp. 1533-1545. by Ondrej Kysel, Scaronimon Budzák, Miroslav Medve&dcaron;, Pavel Mach posted to complex interaction pi-pi vdw charge-transfer by vpar on 2009-01-28 13:24:12 as
	A comparison of experimental determinations of electron affinities of pi charge transfer complex acceptors [My Copy] The Journal of Chemical Physics, Vol. 63, No. 8. (1975), pp. 3183-3191. by E. C. M. Chen, W. E. Wentworth posted to charge-transfer by vpar on 2009-01-28 13:17:50 as
	Critical role of a thiolate-quinone charge transfer complex and its adduct form in de novo disulfide bond generation by DsbB [My Copy] Proceedings of the National Academy of Sciences of the United States of America, Vol. 103, No. 2. (10 January 2006), pp. 287-292. by Kenji Inaba, Yoh-Hei Takahashi, Koreaki Ito, Shigehiko Hayashi posted to complex by vpar on 2009-01-23 23:19:50 as
	Internal rotation in high-resolution ultraviolet spectra. II. Spectrum and structure of the aniline--nitrogen van der Waals complex [My Copy] The Journal of Chemical Physics, Vol. 115, No. 24. (2001), pp. 11147-11156. by Martin Schäfer, David W. Pratt posted to complex interaction vdw by vpar on 2009-01-23 23:13:43 as
	Accurate description of van der Waals complexes by density functional theory including empirical corrections [My Copy] Journal of Computational Chemistry, Vol. 25, No. 12. (2004), pp. 1463-1473. by Stefan Grimme posted to complex correction vdw by vpar on 2009-01-23 23:11:05 as along with 2 people middledomain apulido
	Ab initio studies on the van der Waals complexes of polycyclic aromatic hydrocarbons. I. Benzene--naphthalene complex [My Copy] The Journal of Chemical Physics, Vol. 116, No. 18. (2002), pp. 7902-7909. by Nam K. Lee, Soonyong Park, Seong K. Kim posted to complex pi-pi vdw by vpar on 2009-01-23 23:10:01 as
	Ab initio studies on the van der Waals complexes of polycyclic aromatic hydrocarbons. II. Naphthalene dimer and naphthalene--anthracene complex [My Copy] The Journal of Chemical Physics, Vol. 116, No. 18. (2002), pp. 7910-7917. by Nam K. Lee, Soonyong Park, Seong K. Kim posted to complex interaction pi-pi vdw by vpar on 2009-01-23 23:04:28 as

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complex	16
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m05-2	3
ir	3
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textbook	2
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nmr	2
tetrazine	2
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factors	1
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triplet	1
binaphtyl	1
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flourescence	1
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