A_Coletta_Thesis's chemistry [8 articles] Export

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	On the basis-set dependence of local and integrated electron density properties: Application of a new computer program for quantum-chemical density analysis [My Copy] Journal of Computational Chemistry, Vol. 9999, No. 9999. (2008), NA. by Anatoliy Volkov, Tibor Koritsanszky, Michal Chodkiewicz, Harry F. King posted to ab-initio chemistry by A_Coletta_Thesis on 2009-02-06 12:37:56 as along with 1 group Structural Biology Group TorVergata
	Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules [My Copy] The Journal of Chemical Physics, Vol. 54, No. 2. (1971), pp. 724-728. by R. Ditchfield, W. J. Hehre, J. A. Pople posted to ab-initio basis_set chemistry by A_Coletta_Thesis on 2009-02-04 23:16:01 as along with 1 group Structural Biology Group TorVergata
	Basis set selection for molecular calculations [My Copy] Chemical Reviews, Vol. 86, No. 4. (1 August 1986), pp. 681-696. by Ernest R. Davidson, David Feller posted to ab-initio chemistry computation dft by A_Coletta_Thesis on 2009-02-03 17:45:25 as along with 1 group Structural Biology Group TorVergata
	cclib: A library for package-independent computational chemistry algorithms [My Copy] Journal of Computational Chemistry, Vol. 29, No. 5. (2008), pp. 839-845. by Noel M. O'Boyle, Adam L. Tenderholt, Karol M. Langner posted to ab-initio chemistry computation software by A_Coletta_Thesis on 2009-01-22 23:37:40 as along with 1 person and 1 group oteri Structural Biology Group TorVergata
	Automatic Method for Identifying Reaction Coordinates in Complex Systems [My Copy] J. Phys. Chem. B, Vol. 109, No. 14. (14 April 2005), pp. 6769-6779. by A. Ma, A. R. Dinner posted to chemistry neural_networks reaction by A_Coletta_Thesis on 2009-01-15 10:46:59 as along with 2 people and 2 groups whitead Diego_Prada Jiang Research Group Structural Biology Group TorVergata
	Integrated computational strategies for UV/vis spectra of large molecules in solution. [My Copy] Chemical Society reviews, Vol. 36, No. 11. (November 2007), pp. 1724-1731. by V. Barone, A. Polimeno posted to ab-initio chemistry dft molecular_dynamics topotecan by A_Coletta_Thesis on 2009-01-14 14:50:38 as along with 1 person and 1 group blasco_morozzo Structural Biology Group TorVergata
	A notation for the study of certain stereochemical problems [My Copy] Journal of Chemical Education, Vol. 32, No. 7. (July 1955), pp. 342-347. by M. S. Newman posted to chemistry by A_Coletta_Thesis on 2008-09-16 09:40:00 as
	Advanced Organic Chemistry : Structure and Mechanisms (Part A) [My Copy] (30 April 1990) by Francis A. Carey, Richard J. Sundberg posted to chemistry by A_Coletta_Thesis on 2008-09-16 09:32:43 as

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A_Coletta_Thesis's chemistry [8 articles] Export

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