loison's solvent [30 articles] Export

Recent papers added to loison's library classified by the tag solvent. You can also see everyone's solvent.

	Highly sensitive setup for tunable wavelength hyper-Rayleigh scattering with parallel detection and calibration data for various solvents [My Copy] Opt. Express, Vol. 17, No. 6. (16 March 2009), pp. 4587-4604. by Jochen Campo, Filip Desmet, Wim Wenseleers, Etienne Goovaerts posted to hrs solvent by loison on 2009-05-29 16:12:17 as
	Vibrational contributions to nonlinear optical properties of methanol, ethanol and propanol [My Copy] Journal of Molecular Structure: THEOCHEM, Vol. 717, No. 1-3. (17 March 2005), pp. 223-230. by Yan-Hua Wang, Chuan-Kui Wang, Yi Luo posted to hyperpolarizability solvent theory by loison on 2008-07-18 15:20:47 as
	Lewis-base binding properties of free-base [beta]-octahalotetraphenylporphyrins [My Copy] Chemical Physics Letters, Vol. 357, No. 1-2. (3 May 2002), pp. 108-112. by P. Bhyrappa, P. Bhavana posted to planeity porphyrin solvent by loison on 2008-04-03 09:20:04 as
	Unusual solvent dependent optical absorption spectral properties of free-base perhaloporphyrins [My Copy] Chemical Physics Letters, Vol. 342, No. 1-2. (6 July 2001), pp. 39-44. by P. Bhyrappa, P. Bhavana posted to absorption porphyrin solvent by loison on 2008-04-03 09:15:34 as
	Dynamical model for SN2 reactions in solution. The Cl-+CH3Cl --> ClCH3 + Cl- reaction [My Copy] Chemical Physics, Vol. 182, No. 2-3. (1 May 1994), pp. 249-262. by Gert D. Billing, Kurt V. Mikkelsen posted to model simulation solvent by loison on 2007-05-21 14:02:57 as
	Computer Simulation of the Linear and Nonlinear Optical Susceptibilities of <i>p</i>-Nitroaniline in Cyclohexane, 1,4-Dioxane, and Tetrahydrofuran in Quadrupolar Approximation. II. Local Field Effects and Optical Susceptibilitities [My Copy] J. Phys. Chem. B, Vol. 110, No. 37. (21 September 2006), pp. 18537-18552. by H. Reis, M. G. Papadopoulos, A. Grzybowski posted to theory solvent qmmm hyperpolarizability by loison on 2007-01-11 13:50:19 as
	Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids: Calculations on methanol [My Copy] The Journal of Chemical Physics, Vol. 109, No. 9. (1998), pp. 3580-3588. by Patrick Norman, Yi Luo, Hans Agren posted to hyperpolarizability solvent theory vibration by loison on 2006-11-04 19:10:10 as
	A semiclassical approximation model for properties of molecules in solution [My Copy] The Journal of Chemical Physics, Vol. 109, No. 9. (1998), pp. 3589-3595. by Yi Luo, Patrick Norman, Hans Agren posted to hyperpolarizability onsager solvent theory by loison on 2006-11-04 19:07:46 as
	Time-dependent density functional theory for molecules in liquid solutions [My Copy] The Journal of Chemical Physics, Vol. 115, No. 10. (2001), pp. 4708-4717. by Maurizio Cossi, Vincenzo Barone posted to solvent tddft by loison on 2006-10-24 14:11:43 as
	Water dynamics in the hydration layer around proteins and micelles [My Copy] CHEMICAL REVIEWS, Vol. 105, No. 9., pp. 3197-3219. by B. Bagchi posted to dynamics micelle solvent water by loison on 2006-10-16 12:30:52 as
	Molecular Dynamics Simulation of the Kinetics of Spontaneous Micelle Formation [My Copy] J. Phys. Chem. B, Vol. 104, No. 51. (28 December 2000), pp. 12165-12173. by S. J. Marrink, D. P. Tieleman, A. E. Mark posted to dpc gromacs phasediagram solvent by loison on 2006-10-16 08:19:55 as
	Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid–protein interactions, side chain transfer free energies and model proteins [My Copy] Journal of Physics: Condensed Matter, Vol. 18, No. 28. (2006), pp. S1221-S1234. by Peter D. Tieleman, Justin L. Maccallum, Walter L. Ash, Christian Kandt, Zhitao Xu, Luca Monticelli posted to gromacs solvent theory tip5p water by loison on 2006-10-13 21:58:42 as along with 2 people arnaucordomi sunnytov
	A reappraisal of what we have learnt during three decades of computer simulations on water [My Copy] Journal of Molecular Liquids In Molecular Liquids. Water at the New Millenium, Vol. 101, No. 1-3. (November 2002), pp. 219-260. by Bertrand Guillot posted to simulation solvent theory tip5p water by loison on 2006-10-12 08:45:25 as along with 5 people pavanghatty flbarroso ruvido softsimu onufriev
	A quantum chemical approach to dielectric solvent effects in molecular liquids [My Copy] Chemical Physics, Vol. 18, No. 1-2. (1 December 1976), pp. 233-242. by Jean-Louis Rivail, Daniel Rinaldi posted to solvation solvent theory by loison on 2006-10-11 09:42:05 as
	Solvent Effects. 5. Influence of Cavity Shape, Truncation of Electrostatics, and Electron Correlation on ab Initio Reaction Field Calculations [My Copy] J. Phys. Chem., Vol. 100, No. 40. (3 October 1996), pp. 16098-16104. by J. B. Foresman, T. A. Keith, K. B. Wiberg, J. Snoonian, M. J. Frisch posted to solvation solvent theory by loison on 2006-10-11 09:38:55 as
	Effect of Medium Polarity on the Second-Order Polarizability of an Octupolar Chromophore: An ab initio Reaction Field Study of Triaminotrinitrobenzene [My Copy] European Journal of Organic Chemistry, Vol. 1998, No. 7. (1998), pp. 1267-1269. by Christophe Dehu, Victor Geskin, André Persoons, Jean-Luc Brédas posted to dft hyperpolarizability solvent by loison on 2006-10-10 20:26:25 as
	A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions [My Copy] The Journal of Chemical Physics, Vol. 112, No. 20. (2000), pp. 8910-8922. by Michael W. Mahoney, William L. Jorgensen posted to simulation solvent tip5p water by loison on 2006-10-06 13:35:14 as along with 2 people flbarroso Lombardo_7
	How the Liquid-Liquid Transition Affects Hydrophobic Hydration in Deeply Supercooled Water [My Copy] Physical Review Letters, Vol. 94, No. 21. (Jun 2005), 217802. by Dietmar Paschek posted to phasediagram simulation solvent by loison on 2006-10-06 13:27:13 as along with 1 person kulinskii
	Electrons and Hydrogen-Bond Connectivity in Liquid Water [My Copy] Physical Review Letters, Vol. 96, No. 1. (2006) by Fernandez M. V. Serra, Emilio Artacho posted to marivi siesta simulation solvent theory water by loison on 2006-09-25 11:01:04 as along with 1 person ruvido
	Network equilibration and first-principles liquid water [My Copy] The Journal of Chemical Physics, Vol. 121, No. 22. (2004), pp. 11136-11144. by Fernandez M. V. Serra, Emilio Artacho posted to marivi siesta solvent water by loison on 2006-09-25 10:56:55 as
	Locus of solubilization of benzene in surfactant micelles [My Copy] Journal of Physical Chemistry, Vol. 88, No. 13. (1984), pp. 2916-2922. by R. Nagarajan, M. A. Chaiko, E. Ruckenstein posted to benzene micelles sds solvent by loison on 2006-09-25 09:01:11 as
	Spectroscopic Properties in the Liquid Phase: Combining High-Level Ab Initio Calculations and Classical Molecular Dynamics [My Copy] ChemPhysChem, Vol. 7, No. 1. (2006), pp. 148-156. by Michele Pavone, Giuseppe Brancato, Giovanni Morelli, Vincenzo Barone posted to solvent tddft theory by loison on 2006-09-15 11:41:23 as along with 1 person A_Coletta_Thesis
	Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods [My Copy] The Journal of Chemical Physics, Vol. 119, No. 20. (2003), pp. 10519-10535. by Jacob Kongsted, Anders Osted, Kurt V. Mikkelsen, Ove Christiansen posted to hyperpolarizability solvent theory by loison on 2006-09-15 11:05:23 as
	The influence of the solute/solvent interactions on the first-order hyperpolarizability in urea molecule. A quantum chemical study [My Copy] Chemical Physics Letters, Vol. 362, No. 3-4. (19 August 2002), pp. 224-228. by W. Bartkowiak, R. Zalesny, M. Kowal, J. Leszczynski posted to gaussian hyperpolarizability solvent theory by loison on 2006-09-15 11:01:01 as
	Nonlinear Optical Properties of Zwitterionic Merocyanine Aggregates: Role of Intermolecular Interaction and Solvent Polarity [My Copy] J. Phys. Chem. A, Vol. 109, No. 40. (13 October 2005), pp. 9095-9103. by Z. Sainudeen, P. C. Ray posted to hyperpolarizability solvent theory by loison on 2006-09-15 10:55:04 as
	First hyperpolarizabilities of ionic octupolar molecules: structure-function relationships and solvent effects [My Copy] Chemical Physics Letters, Vol. 399, No. 1-3. (21 November 2004), pp. 162-166. by Paresh C. Ray, Jerzy Leszczynski posted to crystalviolet hyperpolarizability solvent theory by loison on 2006-09-15 10:52:40 as
	Solvent effect on geometry and nonlinear optical response of conjugated organic molecules [My Copy] International Journal of Quantum Chemistry, Vol. 106, No. 10. (2006), pp. 2245-2253. by Marina Y. Balakina, Sergey E. Nefediev posted to hyperpolarizability solvent theory by loison on 2006-09-15 10:43:56 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 gaussian hyperpolarizability nlo organic solvent by loison on 2006-09-15 10:26:35 as along with 1 person and 1 group samjlord moernerlab
	Two-Photon Absorption and First Nonlinear Optical Properties of Ionic Octupolar Molecules: Structure-Function Relationships and Solvent Effects [My Copy] J. Phys. Chem. A, Vol. 109, No. 30. (4 August 2005), pp. 6689-6696. by P. C. Ray, J. Leszczynski posted to crystalviolet gaussian hyperpolarizability solvent theory by loison on 2006-09-15 10:22:49 as
	Computational and spectroscopic studies concerning the solvatochromic behavior of 1,3-disubstituted azulenes [My Copy] International Journal of Quantum Chemistry, Vol. 106, No. 11. (2006), pp. 2331-2338. by Anna Blice-Baum, Aaron Van Dyke, Ian Sigmon, et al.Alan E. Salter, Andrzej Wierzbicki, Y. Pocker, Greg T. Spyridis posted to excitedstate solvent tddft theory by loison on 2006-09-15 10:17:45 as

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theory	140
hyperpolarizability	123
shg	89
experiments	74
crystalviolet	62
simulation	39
collagen	38
tddft	35
triazole	33
solvent	30
water	27
file-import-09-05-18	25
simulations	25
protein	24
binaphthol	20
myosin	20
tryptophan	20
melittin	17
peptide	17
porphyrin	17
sds	17
solvation	16
antimicrobialpeptides	15
dft	15
peptides	15
pna	14
lasim	13
solarcells	13
formamide	12
lc-tddft	12
adf	11
gromacs	11
micelle	11
octupolar	11
bilayer	10
experiment	10
hrs	10
nma	10
casscf	9
cv	9
excitedstate	9
qmmm	9
spectrum	9
membrane	8
parallel_tempering	8
pdb	8
qm-mm	8
optical	7
sgh	7
solvationdynamics	7
trp	7
gp41	6
hiv	6
organic	6
sers	6
siesta	6
vanderwaals	6
amide	5
functionals	5
hyperralayscattering	5
moleculardynamics	5
nonlinear	5
remd	5
vibration	5
absorption	4
antimicrobialpeptide	4
calculations	4
cation-pi	4
claire	4
drf	4
fluorescence	4
forcefields	4
fuelcell	4
hyperpoparizability	4
imaging	4
micelles	4
microscopy	4
microsolvation	4
onl	4
pem	4
phasediagram	4
polymer	4
pore	4
qacr	4
structure	4
tubulin	4
aimd	3
charge-transfer	3
cluster	3
coarsegrain	3
coarse-grained	3
cpmd	3
electricdipole	3
fields	3
gaussian	3
indole	3
interfaces	3
lipid	3
lipidmonolayers	3
lippert	3
multiphoton_microscopy	3
pp2	3
review	3
shape	3
tip5p	3
tps	3
two-states-model	3
urea	3
actin	2
amber	2
aminoacids	2
amphiphiles	2
antibiotic	2
benzene	2
cd	2
cea	2
circular_dichroism	2
cristal	2
dr1	2
excited	2
femtosecond	2
finite	2
force	2
functional	2
ir	2
lsdau	2
magainin	2
marivi	2
method	2
model	2
muscle	2
nlo	2
nmr	2
optics	2
polarisability	2
pores	2
porphin	2
saop	2
scrf	2
sfg	2
spc	2
states	2
surface	2
trpzip	2
vesicule	2
violet	2
ab	1
acetamide	1
afmm	1
aladan	1
amber99sb	1
antimicrobial	1
aromaticaminoacids	1
b3lyp	1
becke	1
benzene-h20	1
benzene-water	1
biology	1
carbenium	1
carbocation	1
casi2	1
cells	1
charge	1
chemistry	1
chiral	1
click	1
clusters	1
coarsegrained	1
coarse-grained-models	1
colloids	1
compounds	1
conventions	1
convergence	1
coupled_oscillators	1
cristalviolet	1
crystalstructure	1
ddft	1
defects	1
dendrimres	1
diagram	1
dialanine	1
dpc	1
dppg	1
dynamic	1
dynamics	1
edft	1
efd	1
efish	1
electron	1
elph	1
energy	1
environments	1
enzyme	1
esses	1
excitonic	1
fibril	1
field	1
forcematching	1
formaldehyde	1
formation	1
four-component	1
gap	1
geometruoptimization	1
gromos	1
guanine	1
gw	1
helge	1
helix	1
homo-lumo	1
hydrogen_bonds	1
hydrogenloss	1
imidazole	1
implementation	1
indanonce	1
initio	1
ions	1
kerr	1
lamellar	1
lanthanides	1
light	1
lipids	1
liquiscrystals	1
local_fields	1
magainine	1
malachitegreen	1
mathematique	1
mc	1
md	1
mebranepotential	1
melitttin	1
membraneprotein	1
metadynamics	1
metal	1
methylorange	1
methylviolet	1
mgcni3	1
mixed-valence	1
molcas	1
mollerplesset	1
moment	1
monolayer	1
nan3	1
nematics	1
nlodye	1
nlodyes	1
nlopredict	1
non-covalent	1
octopus	1
oniom	1
onsager	1
opls	1
oplsaa	1
optic	1
oxadiazole	1
pcm	1
perdew	1
phases	1
photodetachment	1
planeity	1
polyimide	1
pp	1
ppg10	1
proc	1
prolymer	1
proteine	1
protein_membrane	1
protontransfert	1
puroindoline	1
pyridilaxazole	1
qchem	1
quild	1
rayleigh	1
realtddft	1
real_time	1
rebo	1
reorganization	1
resistance	1
sarcomere	1
scartch	1
scattering	1
shapes	1
solar	1
solid	1
solute_tempering	1
sos	1
spce	1
surfactants	1
tendon	1
tetramer	1
thiadiazole	1
transfert	1
transition	1
transport	1
tryptophane	1
two-photon	1
umbrella_sampling	1
uv	1
xray	1

loison's solvent [30 articles] Export

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