januszc's no-tag [96 articles] Export

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	The (hyper)polarizabilities of AuXeF and XeAuF [My Copy] Chemical Physics Letters (13 March 2009) by F. Holka, A. Avramopoulos, O. Loboda, V. Kellö, M. G. Papadopoulos posted to no-tag by januszc on 2009-03-17 14:26:32 as
	Six-coordination in Chlorophylls: the fundamental role of dispersion energy [My Copy] Chemical Physics Letters (14 March 2009) by Ben A. Fredj, Ben Z. Lakhdar, M. F. Ruiz-López posted to no-tag by januszc on 2009-03-17 14:26:16 as
	Submillimeter wave spectroscopy of XeH[sup + ] and XeD[sup + ] [My Copy] The Journal of Chemical Physics, Vol. 95, No. 4. (1991), pp. 2352-2360. by Kirk A. Peterson, Rudolph H. Petrmichl, Robert L. Mcclain, Claude R. Woods posted to no-tag by januszc on 2009-02-19 23:34:16 as
	Determination of the electric dipole moment of KrH+ [My Copy] Journal of Molecular Spectroscopy, Vol. 153, No. 1-2. (May 1992), pp. 710-717. by H. Linnartz, M. Havenith, E. Zwart, W. Leomeerts, J. Termeulen posted to no-tag by januszc on 2009-02-19 23:30:04 as
	Dipole moment of ArH+X1Σ+ from analysis of pure rotational and vibration-rotational spectra [My Copy] Chemical Physics Letters, Vol. 342, No. 3-4. (13 July 2001), pp. 293-298. by M. Molski posted to no-tag by januszc on 2009-02-19 23:26:05 as
	Calculated spectra for HeH+ and its effect on the opacity of cool metal-poor stars [My Copy] Monthly Notices of the Royal Astronomical Society, Vol. 357, No. 2. (February 2005), pp. 471-477. by Elodie A. Engel, Natasha Doss, Gregory J. Harris, Jonathan Tennyson posted to no-tag by januszc on 2009-02-19 23:09:07 as
	Applicability of the no-pair equation with free-particle projection operators to atomic and molecular structure calculations [My Copy] Physical Review A, Vol. 32, No. 2. (1985), 756. by Bernd A. Hess posted to no-tag by januszc on 2009-02-19 22:38:54 as
	Quantum electrodynamical corrections to the fine structure of helium [My Copy] Annals of Physics, Vol. 82, No. 1. (1974), pp. 89-155. by M. Douglas, N. Kroll posted to no-tag by januszc on 2009-02-19 22:34:59 as
	Spin adapted restricted Hartree--Fock reference coupled cluster theory for open shell systems [My Copy] The Journal of Chemical Physics, Vol. 100, No. 5. (1994), pp. 3706-3716. by Pavel Neogrády, Miroslav Urban, Ivan Hubac posted to no-tag by januszc on 2009-02-19 22:28:39 as
	A generalized Romberg differentiation procedure for calculation of hyperpolarizabilities [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 847, No. 1-3. (20 December 2007), pp. 39-46. by M. Medved, M. Stachova, D. Jacquemin, J. Andre, E. Perpete posted to no-tag by januszc on 2009-02-19 22:19:47 as
	$My PDF mart\i_93_comparative.pdf$ A comparative analysis of two methods for the calculation of electric-field-induced perturbations to molecular vibration [My Copy] The Journal of Chemical Physics, Vol. 99, No. 5. (1993), pp. 3860-3864. by Josep Mart\i, David M. Bishop posted to no-tag by januszc on 2009-02-18 19:08:09 as
	Molecular vibrational and rotational motion in static and dynamic electric fields [My Copy] Reviews of Modern Physics, Vol. 62, No. 2. (1 Apr 1990), pp. 343-374. by David M. Bishop posted to no-tag by januszc on 2009-02-18 18:33:12 as along with 1 person loison
	Cyclotron frequency shifts arising from polarization forces [My Copy] Nature, Vol. 430, No. 6995. (1 July 2004), pp. 58-61. by James K. Thompson, Simon Rainville, David E. Pritchard posted to no-tag by januszc on 2009-02-18 14:22:53 as
	An ab initio molecular orbital study of the argon hydride molecule-ions, ArH+ and ArD+, at the MP4(SDQ)/6-311++G(3df,3dp) level. I. The dipole moment, charge distribution, energy levels, internuclear distance and potential energy of the X1Σ+ ground state of the 40Ar1H+ and 40Ar2D+ molecule-ions [My Copy] Chemical Physics Letters, Vol. 345, No. 5-6. (21 September 2001), pp. 525-531. by C. J. H. Schutte posted to no-tag by januszc on 2009-02-17 14:34:51 as
	Ab Initio Study of Bonding Trends among Cyanamidophosphates ([PO$_n$(NCN)$_4-n$]$^3-$) and Related Systems [My Copy] Chemistry - A European Journal, Vol. 6, No. 12. (2000), pp. 2145-2151. by Pekka Pyykkö posted to no-tag by januszc on 2009-02-17 14:13:41 as
	Formation and characterization of neutral krypton and xenon hydrides in low-temperature matrices [My Copy] Low Temperature Physics, Vol. 26, No. 9. (2000), pp. 680-690. by J. Lundell, L. Khriachtchev, M. Pettersson, M. Räsänen posted to no-tag by januszc on 2009-02-17 13:20:59 as
	New Rare-Gas-Containing Neutral Molecules [My Copy] European Journal of Inorganic Chemistry, Vol. 1999, No. 5. (1999), pp. 729-737. by Mika Pettersson, Jan Lundell, Markku Räsänen posted to no-tag by januszc on 2009-02-17 13:16:42 as
	Relativistic effects determined using the Douglas--Kroll contracted basis sets and correlation consistent basis sets with small-core relativistic pseudopotentials [My Copy] The Journal of Chemical Physics, Vol. 122, No. 17. (2005) by Scott Yockel, Angela K. Wilson posted to no-tag by januszc on 2009-02-11 13:03:07 as
	Parallel Douglas--Kroll energy and gradients in NWChem: Estimating scalar relativistic effects using Douglas--Kroll contracted basis sets [My Copy] The Journal of Chemical Physics, Vol. 114, No. 1. (2001), pp. 48-53. by W. A. de Jong, R. J. Harrison, D. A. Dixon posted to no-tag by januszc on 2009-02-11 12:35:17 as
	The determination of accurate dipole polarizabilities alpha and gamma for the noble gases [My Copy] The Journal of Chemical Physics, Vol. 94, No. 7. (1991), pp. 4972-4979. by Julia E. Rice, Peter R. Taylor, Timothy J. Lee, Jan Almlöf posted to no-tag by januszc on 2009-02-03 00:24:25 as
	Ab initio study of RgBr (Rg=Ar, Kr, Xe) [My Copy] Journal of Molecular Structure: THEOCHEM (28 October 2005) by L. Xinying, Z. Yongfang, J. Xiaogong, L. Fengli, H. Fengyou posted to no-tag by januszc on 2009-02-02 23:37:54 as
	Noble gas-selenium molecular species: a theoretical investigation of FNgSe- (Ng = He-Xe) [My Copy] Chemical Physics Letters (20 January 2009) by S. Borocci, N. Bronzolino, F. Grandinetti posted to no-tag by januszc on 2009-01-22 13:16:39 as
	Electronic spectroscopy of the Au-Xe complex [My Copy] Phys. Chem. Chem. Phys. (2009) by Richard J. Plowright, Mark J. Watkins, Adrian M. Gardner, Carolyn D. Withers, Timothy G. Wright, W. H. Breckenridge posted to no-tag by januszc on 2009-01-20 19:59:14 as
	Electron density topology of cubic structure I Xe clathrate hydrate at high pressure [My Copy] The Journal of Chemical Physics, Vol. 129, No. 24. (2008) by Roxana Flacau, Serge Desgreniers, John S. Tse posted to no-tag by januszc on 2009-01-17 16:39:54 as
	An unconventional halogen bond with carbene as an electron donor: An ab initio study [My Copy] Chemical Physics Letters (25 December 2008) by Q. Li, Y. Wang, Z. Liu, et al.W. Li, J. Cheng, B. Gong, J. Sun posted to no-tag by januszc on 2009-01-17 16:35:28 as
	Intermolecular potential and ab initio spectroscopy of the Ne–HF complex [My Copy] Chemical Physics Letters, Vol. 468, No. 4-6. (22 January 2009), pp. 290-293. by A. Tulegenov, R. Wheatley, M. Nauryzbaev posted to no-tag by januszc on 2009-01-17 16:29:27 as
	Core electron chemical shifts of hydrogen-bonded structures [My Copy] Chemical Physics Letters, Vol. 468, No. 4-6. (22 January 2009), pp. 294-298. by G. Tu, Y. Tu, O. Vahtras, H. Agren posted to no-tag by januszc on 2009-01-17 16:29:11 as
	<I>Ab initio</I> calculations on halogen-bonded complexes and comparison with density functional methods [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA. by Yun-Xiang Lu, Jian-Wei Zou, Ji-Cai Fan, Wen-Na Zhao, Yong-Jun Jiang, Qing-Sen Yu posted to no-tag by januszc on 2009-01-17 16:26:43 as along with 2 people Gershom middledomain
	Interaction of CHX3 (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C-H and N-H bonds [My Copy] Phys. Chem. Chem. Phys. (2009) by Nguyen T. Trung, Tran T. Hue, Minh T. Nguyen posted to no-tag by januszc on 2009-01-17 16:22:18 as
	Atom abstraction and gas phase dissociation in the interaction of XeF[sub 2] with Si(100) [My Copy] The Journal of Chemical Physics, Vol. 129, No. 21. (2008) by R. C. Hefty, J. R. Holt, M. R. Tate, S. T. Ceyer posted to no-tag by januszc on 2009-01-17 16:11:26 as
	Ground state potential energy surfaces and bound states of M--He dimers (M = Cu,Ag,Au): A theoretical investigation [My Copy] The Journal of Chemical Physics, Vol. 129, No. 20. (2008) by Fausto Cargnoni, Tomasz Kus, Massimo Mella, Rodney J. Bartlett posted to no-tag by januszc on 2009-01-17 16:06:08 as
	Multiple Phases of Liquid Water [My Copy] ChemPhysChem, Vol. 9999, No. 9999. (2008), NA. by Ivan Brovchenko, Alla Oleinikova posted to no-tag by januszc on 2009-01-17 16:02:51 as along with 1 person paulschlesinger
	Intermolecular vibrations of different isotopologs of the water dimer: Experiments and density functional theory calculations [My Copy] The Journal of Chemical Physics, Vol. 129, No. 19. (2008) by J. Ceponkus, P. Uvdal, B. Nelander posted to no-tag by januszc on 2009-01-17 15:57:38 as
	The CCSD(T) complete basis set limit for Ne revisited [My Copy] The Journal of Chemical Physics, Vol. 129, No. 19. (2008) by Ericka C. Barnes, George A. Petersson, David Feller, Kirk A. Peterson posted to no-tag by januszc on 2009-01-17 15:56:41 as
	Interaction potential of Al3+–Ne and the mobility of Al3+ in He and Ne [My Copy] Chemical Physics Letters, Vol. 467, No. 1-3. (15 December 2008), pp. 66-69. by T. Wright, E. Lee, L. Viehland posted to no-tag by januszc on 2009-01-17 15:55:10 as
	Interaction potentials, spectroscopy, and transport properties of Ne[sup +]--He and He[sup +]--Ne [My Copy] The Journal of Chemical Physics, Vol. 129, No. 18. (2008) by Timothy G. Wright, Benjamin R. Gray, Larry A. Viehland, Rainer Johnsen posted to no-tag by januszc on 2009-01-17 15:54:14 as
	Theoretical study of noble-gas containing metal halides [My Copy] The Journal of Chemical Physics, Vol. 129, No. 24. (2008) by Chun H. Mou, Henryk A. Witek posted to no-tag by januszc on 2009-01-11 17:37:38 as
	Modeling the structure-property relationships of nanoneedles: A journey toward nanomedicine [My Copy] Journal of Computational Chemistry, Vol. 30, No. 2. (2009), pp. 275-284. by Albert Poater, Ana G. Saliner, Ramon Carbó-Dorca, et al.Jordi Poater, Miquel Solà, Luigi Cavallo, Andrew P. Worth posted to no-tag by januszc on 2009-01-11 17:28:29 as
	Further evidence for formation of xenon dihydride from neutral hydrogen atoms: a comparison of ESR and IR spectroscopic results [My Copy] Chemical Physics Letters, Vol. 280, No. 5-6. (12 December 1997), pp. 507-512. by V. Feldman posted to no-tag by januszc on 2009-01-07 08:31:11 as
	A Renaissance in Noble Gas Chemistry [My Copy] Angewandte Chemie International Edition, Vol. 40, No. 8. (2001), pp. 1419-1421. by Karl O. Christe posted to no-tag by januszc on 2009-01-07 08:27:28 as
	Frozen core and effective core potentials in symmetry-adapted perturbation theory [My Copy] The Journal of Chemical Physics, Vol. 127, No. 16. (2007) by Konrad Patkowski, Krzysztof Szalewicz posted to no-tag by januszc on 2008-12-26 17:11:50 as
	Local MP2 periodic study of rare-gas crystals [My Copy] Chemical Physics Letters, Vol. 467, No. 4-6. (05 January 2009), pp. 294-298. by M. Halo, S. Casassa, L. Maschio, C. Pisani posted to no-tag by januszc on 2008-12-26 16:15:54 as
	Extreme dynamics and energetics of Coulomb explosion of Xe clusters [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 1. (2009), pp. 111-124. by Andreas Heidenreich, Isidore Last, Joshua Jortner posted to no-tag by januszc on 2008-12-26 16:09:47 as
	All-electron and effective core potential studies on ground state ArH+, KrH+ and XeH+ ions [My Copy] Chemical Physics Letters, Vol. 208, No. 3-4. (11 June 1993), pp. 247-255. by Jan Lundell, Janne Nieminena, Henrik Kunttua posted to no-tag by januszc on 2008-12-11 14:56:59 as
	Additional compact formulas for vibrational dynamic dipole polarizabilities and hyperpolarizabilities [My Copy] The Journal of Chemical Physics, Vol. 108, No. 24. (1998), pp. 10013-10017. by David M. Bishop, Josep M. Luis, Bernard Kirtman posted to no-tag by januszc on 2008-12-11 14:17:59 as
	Microscopic Theory of Nonlinear Optics [My Copy] Non-Linear Optical Properties of Matter (2006), pp. 1-49. by Patrick Norman, Kenneth Ruud posted to no-tag by januszc on 2008-12-11 13:56:41 as
	Measurements and calculations of the hyperpolarizabilities of atoms and small molecules in the gas phase [My Copy] Chemical Reviews, Vol. 94, No. 1. (1 January 1994), pp. 3-29. by David P. Shelton, Julia E. Rice posted to no-tag by januszc on 2008-12-11 13:32:10 as along with 1 person loison
	Predicted NMR properties of noble gas hydride cations RgH+ [My Copy] Chemical Physics Letters, Vol. 467, No. 1-3. (15 December 2008), pp. 18-22. by J. Cukras, J. Sadlej posted to no-tag by januszc on 2008-12-11 11:24:22 as
	Structure and dynamics of empty cages in xenon clathrate hydrate [My Copy] The Journal of Chemical Physics, Vol. 129, No. 22. (2008) by Tomoko I. Fukazawa, Yohei Yamaguchi, Kazushige Nagashima, Katsuyuki Kawamura posted to no-tag by januszc on 2008-12-11 09:50:05 as
	Relativistic effects on linear and nonlinear polarizabilities studied by effective-core potential, Douglas--Kroll, and Dirac--Hartree--Fock response theory [My Copy] The Journal of Chemical Physics, Vol. 116, No. 16. (2002), pp. 6914-6923. by Patrick Norman, Bernd Schimmelpfennig, Kenneth Ruud, Hans, Hans Gren posted to no-tag by januszc on 2008-12-08 11:52:28 as

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