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A_Coletta_Thesis's Pople:JA [3 articles] Export

Recent papers posted to A_Coletta_Thesis's library by the author Pople:JA. You can also see everyone's Pople:JA.

	Self---Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian---Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules [My Copy] The Journal of Chemical Physics, Vol. 56, No. 5. (1972), pp. 2257-2261. by W. J. Hehre, R. Ditchfield, J. A. Pople posted to ab-initio basis_set by A_Coletta_Thesis on 2009-02-04 23:18:49 as along with 1 person and 2 groups mkowa Structural Biology Group TorVergata Femtochemistry_LMU
	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
	Gaussian 03, Revision C.02, Gaussian,Inc., Wallingford CT [My Copy] (2004) by M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al.G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, Al M. A. Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople posted to software by A_Coletta_Thesis on 2008-09-22 10:58:20 as

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molecular_dynamics	107
topoisomerase	106
ab-initio	89
camptothecin	52
parametrization	51
dft	33
dna	26
topotecan	24
inhibitors	23
atp_binding_cassette	22
metadynamics	22
abc	22
resp	20
force_field	19
modeling	18
spectra	16
td-dft	16
coarse_grained	15
docking	15
nmr	15
structure	15
protein	14
software	11
dim	11
indole	11
free-energy	10
tdp1	10
folding	8
chemistry	8
review	8
chemical_shifts	8
pmf	8
dielectric	7
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qsar	6
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umbrella-sampling	6
water	5
apoptosis	5
giao	5
frequency	5
fluorescence	4
pcm	4
cancer	4
isoquinoline	4
irinotecan	4
computation	4
monte_carlo	4
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domain	3
leishmania	3
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basis_set	2
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poisson_boltzman	2
modification	2
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uv_spectra	2
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cd	2
epr	2
drug_design	2
pme	2
supercoiling	2
electrostatic	2
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perturbation_theory	2
irreversible	2
vaccinia	2
supercoiled_dna	2
ribosome	2
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peptide	1
dna_supercoiled	1
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synthesis	1
langevin	1
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free_energy	1
isocarbostyril	1
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raman	1
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tip3p	1
lanthanide	1
narciclasine	1
entropy	1
activity	1
genetic_algorithm	1
dna_binding	1
wavelet	1
liouville	1

A_Coletta_Thesis's Pople:JA [3 articles] Export

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