Group: moernerlab - with tag computation [21 articles] Export

Recent papers posted by members of the moernerlab group with tag computation

	The semiclassical way to molecular spectroscopy [My Copy] Accounts of Chemical Research, Vol. 14, No. 12. (1 December 1981), pp. 368-375. by Eric J. Heller posted to review photophysics computation by samjlord to the group moernerlab on 2009-11-13 02:02:07 as
	Photoconversion of the Fluorescent Protein EosFP: A Hybrid Potential Simulation Study Reveals Intersystem Crossings [My Copy] Journal of the American Chemical Society, Vol. 0, No. 0. (0000) by Mickaël Lelimousin, Virgile Adam, G. Ulrich Nienhaus, Dominique Bourgeois, Martin J. Field posted to photoswitchable photophysics gfp computation by samjlord to the group moernerlab on 2009-11-03 17:46:21 as
	Charge-Transfer Excitations and Time-Dependent Density Functional Theory: Problems and Some Proposed Solutions [My Copy] ChemPhysChem, Vol. 9999, No. 9999. (2009), NA. by Jochen Autschbach posted to charge-transfer computation theory by samjlord to the group moernerlab on 2009-06-10 01:34:32 as
	Photostability and Spectral Properties of Fluorinated Fluoresceins and their Biarsenical Derivatives: A Combined Experimental and Theoretical Study [My Copy] Photochemistry and Photobiology, Vol. 9999, No. 9999. (2009) by Carla C. Spagnuolo, Walter Massad, Sandra Miskoski, Guillermo O. Menendez, Norman A. García, Elizabeth A. Jares-Erijman posted to computation photobleaching photochemistry by samjlord to the group moernerlab on 2009-05-20 22:56:34 as
	1,2,3-Triazoles as Conjugative π-Linkers in Push−Pull Chromophores: Importance of Substituent Positioning on Intramolecular Charge-Transfer [My Copy] Org. Lett. (27 June 2008) by Peter D. Jarowski, Yi-Lin Wu, Bernd W. Schweizer, François Diederich posted to charge-transfer click-chemistry computation fluorophores by samjlord to the group moernerlab on 2009-04-21 19:06:12 as along with 2 people and 1 group loison bongo Click Chemistry
	Accurate Simulation of Optical Properties in Dyes [My Copy] Accounts of Chemical Research, Vol. 0, No. 0. (0000) by Denis Jacquemin, Eric A. Perpète, Ilaria Ciofini, Carlo Adamo posted to computation review by samjlord to the group moernerlab on 2009-01-07 01:46:34 as along with 2 people loison carlosjavierna
	Molecular Engineering of Torsional Potentials in Fluorogenic Dyes via Electronic Substituent Effects [My Copy] J. Phys. Chem. A, Vol. 112, No. 40. (9 October 2008), pp. 9692-9701. by Volkan Ediz, Jihoon L. Lee, Bruce A. Armitage, David Yaron posted to computation tict by samjlord to the group moernerlab on 2008-11-07 04:56:34 as
	ChemBank: a small-molecule screening and cheminformatics resource database [My Copy] Nucl. Acids Res. (18 October 2007), gkm843. by Kathleen P. Seiler, Gregory A. George, Mary P. Happ, et al.Nicole E. Bodycombe, Hyman A. Carrinski, Stephanie Norton, Steve Brudz, John P. Sullivan, Jeremy Muhlich, Martin Serrano, Paul Ferraiolo, Nicola J. Tolliday, Stuart L. Schreiber, Paul A. Clemons posted to computation by samjlord to the group moernerlab on 2007-12-12 19:35:24 as along with 1 person guhjy
	Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings [My Copy] Advanced Drug Delivery Reviews, Vol. 46, No. 1-3. (1 March 2001), pp. 3-26. by Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy, Paul J. Feeney posted to bioconjugation biophysics computation important by samjlord to the group moernerlab on 2007-11-19 17:21:14 as along with 2 people and 1 group caporaso LamBras biomedical-nlp
	Toward Quantitative Prediction of Molecular Fluorescence Quantum Efficiency: Role of Duschinsky Rotation [My Copy] J. Am. Chem. Soc. (10 July 2007) by Q. Peng, Y. Yi, Z. Shuai, J. Shao posted to photophysics computation by samjlord to the group moernerlab on 2007-07-14 05:04:16 as along with 1 person pauldobson
	Dimer complex UV absorption spectra of some nitrogen heterocycles molecules from atom monopole-dipole interaction model [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 726, No. 1-3. (1 August 2005), pp. 125-133. by Kenfack C. Assongo, B. Kabouchi, M. Nsangou, P. A. Tamanga posted to dimers-aggregates computation by samjlord to the group moernerlab on 2007-07-10 01:46:15 as
	Design of chromophoric molecular assemblies with large second-order optical nonlinearities. A theoretical analysis of the role of intermolecular interactions [My Copy] Journal of the American Chemical Society, Vol. 114, No. 14. (1992), pp. 5842-5849. by Santo Di Bella, Mark A. Ratner, Tobin J. Marks posted to nlo dimers-aggregates computation by samjlord to the group moernerlab on 2007-07-10 01:30:54 as
	Nonlinear optical properties of highly conjugated push-pull porphyrin aggregates: Role of intermolecular interaction [My Copy] Chemical Physics Letters, Vol. 419, No. 4-6. (26 February 2006), pp. 578-583. by Paresh C. Ray, Jerzy Leszczynski posted to dimers-aggregates computation by samjlord to the group moernerlab on 2007-07-10 00:46:51 as along with 1 person loison
	Experimental and Computational Investigation of Unsymmetrical Cyanine Dyes: Understanding Torsionally Responsive Fluorogenic Dyes [My Copy] J. Am. Chem. Soc. (6 April 2007) by G. L. Silva, V. Ediz, D. Yaron, B. A. Armitage posted to photophysics fluorophores dcdhfs computation by samjlord to the group moernerlab on 2007-04-06 21:52:16 as
	Ultralarge Hyperpolarizability Twisted pi-Electron System Electro-Optic Chromophores: Synthesis, Solid-State and Solution-Phase Structural Characteristics, Electronic Structures, Linear and Nonlinear Optical Properties, and Computational Studies [My Copy] J. Am. Chem. Soc. (20 February 2007) by H. Kang, A. Facchetti, H. Jiang, et al.E. Cariati, S. Righetto, R. Ugo, C. Zuccaccia, A. Macchioni, C. L. Stern, Z. Liu, S. T. Ho, E. C. Brown, M. A. Ratner, T. J. Marks posted to nlo computation by samjlord to the group moernerlab on 2007-03-06 22:41:38 as
	Density Functional for Spectroscopy: No Long-Range Self-Interaction Error, Good Performance for Rydberg and Charge-Transfer States, and Better Performance on Average than B3LYP for Ground States [My Copy] J. Phys. Chem. A, Vol. 110, No. 49. (14 December 2006), pp. 13126-13130. by Y. Zhao, D. G. Truhlar posted to photophysics computation by samjlord to the group moernerlab on 2006-12-07 16:11:39 as along with 1 person loison
	Dynamics of allosteric transitions in GroEL [My Copy] Proceedings of the National Academy of Sciences USA, Vol. 103 (29 November 2006), pp. 18939-18944. by Changbong Hyeon, George H. Lorimer, D. Thirumalai posted to biophysics computation proteins by samjlord to the group moernerlab on 2006-12-06 17:28:21 as
	Intramolecular Charge-Transfer Mechanism in Quinolidines: The Role of the Amino Twist Angle [My Copy] J. Am. Chem. Soc. (18 November 2006) by C. Hattig, A. Hellweg, A. Kohn posted to computation photophysics printed tict by samjlord to the group moernerlab on 2006-11-19 01:35:22 as
	The vibrational progressions of the N --> V electronic transition of ethylene: A test case for the computation of Franck-Condon factors of highly flexible photoexcited molecules [My Copy] The Journal of Chemical Physics, Vol. 125, No. 19. (2006) by Raffaele Borrelli, Andrea Peluso posted to computation photophysics tict by samjlord to the group moernerlab on 2006-11-17 19:52:43 as
	Quantum Chemical Methods for the Investigation of Photoinitiated Processes in Biological Systems: Theory and Applications [My Copy] ChemPhysChem, Vol. 7, No. 11. (2006), pp. 2259-2274. by Andreas Dreuw posted to biophysics computation photophysics review by samjlord to the group moernerlab on 2006-11-13 19:13:57 as
	Time-dependent density functional theory investigation of the absorption, fluorescence, and phosphorescence spectra of solvated coumarins [My Copy] The Journal of Chemical Physics, Vol. 125, No. 16. (2006) by Denis Jacquemin, Eric A. Perpete, Giovanni Scalmani, et al.Michael J. Frisch, Xavier Assfeld, Ilaria Ciofini, Carlo Adamo posted to computation photophysics by samjlord to the group moernerlab on 2006-11-06 06:17:03 as

Note: You may cite this page as: http://www.citeulike.org/group/2000/tag/computation

algorithms	247
mathematics	226
languages	214
physics	166
quantum	137
category-theory	106
functional	100
networks	98
logic	92
algebra	73
complexity	72
printed	71
quantum-computation	69
graphs	67
data-structures	62
fun	61
simulation	59
algorithm	52
automata	47
theory	45
geometry	43
review	38
lisp	36
biology	28
combinatorics	28
information-theory	28
model	27
quantum-information	27
ai	26
math	24
bayesian	23
haskell	22
information	22
human	21
network	21
science	21
computer	20
philosophy	20
group-theory	19
multipole	19
photophysics	18
cs	16
evolutionary	15
philsci	15
learning	14
concurrency	13
modeling	13
probability	13
statmech	13
structure	13
topology	13
evolution	12
imaging	12
psychology	12
approximation	11
causal-networks	11
dynamics	11
hippocampus	11
mc	11
taxonomy	11
electrostatics	10
diffraction	9
erlang	9
graph	9
gravity	9
neural	9
optimization	9
statistics	9
symmetry	9
techniques	9
cell	8
distributed	8
experiment	8
md	8
mechanics	8
motor	8
neuroscience	8
permutations	8
process-networks	8
artificialintelligence	7
book	7
charge-transfer	7
chemistry	7
circuit	7
classical-gravity	7
computing	7
entropy	7
epistemology	7
language	7
matrix	7
moments	7
programming	7
systems	7
design	6
fast	6
hippocampal-function	6
parallel	6
spiking	6
statistical-mechanics	6
symbolic	6

Group: moernerlab - with tag computation [21 articles] Export

Related Tags