-
5
-
-
0034732063
-
Improved kinetic parameter estimation in pH-profile data treatment
-
Some, I. and Bogaerts, P. and Hanus, R. and Hanocq, M. and Dubois, J. (2000) Improved kinetic parameter estimation in pH-profile data treatment. International Journal of Pharmaceutics, 198, pp. 39-51.
-
(2000)
International Journal of Pharmaceutics
, vol.198
, pp. 39-51
-
-
Some, I.1
Bogaerts, P.2
Hanus, R.3
Hanocq, M.4
Dubois, J.5
-
6
-
-
0023978597
-
Computerized data acquisition and data reduction in spectrophotometric analysis of metal ion complexes. Part 1. General considerations and data acquisition
-
Gampp, H. and Maeder, M. and Zuberbühler, A. (1988) Computerized data acquisition and data reduction in spectrophotometric analysis of metal ion complexes. Part 1. General considerations and data acquisition. Trends in Analytical Chemistry, 7, pp. 111-113.
-
(1988)
Trends in Analytical Chemistry
, vol.7
, pp. 111-113
-
-
Gampp, H.1
Maeder, M.2
Zuberbühler, A.3
-
7
-
-
0004353327
-
Automated equilibrium titrator based on a personal computer
-
Arnold, A. and Daignault, S. and Rabenstein, D. (1985) Automated equilibrium titrator based on a personal computer. Analytical Chemistry, 57, pp. 1112-1116.
-
(1985)
Analytical Chemistry
, vol.57
, pp. 1112-1116
-
-
Arnold, A.1
Daignault, S.2
Rabenstein, D.3
-
9
-
-
0042731338
-
REACTKIN-a program for modeling the chemical reactions in electrolytes solutions
-
Wojciechowski, K. and Malecki, A. and Prochowska-Klisch, B. (1998) REACTKIN-a program for modeling the chemical reactions in electrolytes solutions. Computers and Chemistry, 22, pp. 89-94.
-
(1998)
Computers and Chemistry
, vol.22
, pp. 89-94
-
-
Wojciechowski, K.1
Malecki, A.2
Prochowska-Klisch, B.3
-
10
-
-
1542343858
-
Simulation of complex chemical kinetics
-
Dyson, R. and Maeder, M. and Puxty, G. and Neuhold, Y.-M. (2003) Simulation of complex chemical kinetics. Inorganic Reaction Mechanisms, 5, pp. 39-46.
-
(2003)
Inorganic Reaction Mechanisms
, vol.5
, pp. 39-46
-
-
Dyson, R.1
Maeder, M.2
Puxty, G.3
Neuhold, Y.-M.4
-
13
-
-
33644839183
-
Analysis of three- and four-way data using multivariate curve resolution-alternating least squares with global multi-way kinetic fitting
-
Bezemer, E. and Rutan, S. (2006) Analysis of three- and four-way data using multivariate curve resolution-alternating least squares with global multi-way kinetic fitting Chemometrics and Intelligent Laboratory Systems, 81, pp. 82-94.
-
(2006)
Chemometrics and Intelligent Laboratory Systems
, vol.81
, pp. 82-94
-
-
Bezemer, E.1
Rutan, S.2
-
14
-
-
0003686522
-
Numerical methods for data-fitting problems
-
Gans, P. (1976) Numerical methods for data-fitting problems. Coordination Chemistry Reviews, 19, pp. 99-124.
-
(1976)
Coordination Chemistry Reviews
, vol.19
, pp. 99-124
-
-
Gans, P.1
-
15
-
-
0000248069
-
Mathematical algorithms and computer programs for the determination of equilibrium constants from potentiometric and spectrophotometric measurements
-
Sabatini, A. and Vacca, A. and Gans, P. (1992) Mathematical algorithms and computer programs for the determination of equilibrium constants from potentiometric and spectrophotometric measurements. Coordination Chemistry Reviews, 120, pp. 389-406.
-
(1992)
Coordination Chemistry Reviews
, vol.120
, pp. 389-406
-
-
Sabatini, A.1
Vacca, A.2
Gans, P.3
-
16
-
-
33845428302
-
-
In [pp.]. San Francisco, CA, March 26-30, 2000
-
Gans, P. and Sabatini, A. and Vacca, A.(2000). Book of Abstracts, 219th ACS National Meeting San Francisco CA, March 26-30, 2000. In [pp.].
-
(2000)
Book of Abstracts, 219th ACS National Meeting
-
-
Gans, P.1
Sabatini, A.2
Vacca, A.3
-
17
-
-
0030272334
-
Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs
-
Gans, P. and Sabatini, A. and Vacca, A. (1996) Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs Talanta, 43, pp. 1739-1753.
-
(1996)
Talanta
, vol.43
, pp. 1739-1753
-
-
Gans, P.1
Sabatini, A.2
Vacca, A.3
-
18
-
-
33645289702
-
Tutorial on the fitting of kinetics models to multivariate spectroscopic measurements with non-linear least-squares regresssion
-
Puxty, G. and Maeder, M. and Hungerbuehler, K. (2006) Tutorial on the fitting of kinetics models to multivariate spectroscopic measurements with non-linear least-squares regresssion Chemometrics and Intelligent Laboratory Systems, 81, pp. 149-164.
-
(2006)
Chemometrics and Intelligent Laboratory Systems
, vol.81
, pp. 149-164
-
-
Puxty, G.1
Maeder, M.2
Hungerbuehler, K.3
-
19
-
-
2542637201
-
Non-linear least-squares fitting of multivariate absorption data
-
Maeder, M. and Zuberbühler, A. (1990) Non-linear least-squares fitting of multivariate absorption data. Analytical Chemistry, 62, pp. 2220-2224.
-
(1990)
Analytical Chemistry
, vol.62
, pp. 2220-2224
-
-
Maeder, M.1
Zuberbühler, A.2
-
21
-
-
0034868132
-
Genetic algorithms in chemometrics and chemistry: A review
-
Leardi, R. (2001) Genetic algorithms in chemometrics and chemistry: A review Journal of Chemometrics, 15, pp. 559-570.
-
(2001)
Journal of Chemometrics
, vol.15
, pp. 559-570
-
-
Leardi, R.1
-
22
-
-
1142285281
-
Application of a genetic algorithm: Near optimal estimation of the rate and equilibrium constants of complex reaction mechanisms
-
Maeder, M. and Neuhold, Y.-M. and Puxty, G. (2004) Application of a genetic algorithm: Near optimal estimation of the rate and equilibrium constants of complex reaction mechanisms Chemometrics and Intelligent Laboratory Systems, 70, pp. 193-205.
-
(2004)
Chemometrics and Intelligent Laboratory Systems
, vol.70
, pp. 193-205
-
-
Maeder, M.1
Neuhold, Y.-M.2
Puxty, G.3
-
23
-
-
49549151081
-
Miniquad - A general computer programme for the computation of formation constants from potentiometric data
-
Sabatini, A. and Vacca, A. and Gans, P. (1974) Miniquad - A general computer programme for the computation of formation constants from potentiometric data. Talanta, 21, pp. 53-77.
-
(1974)
Talanta
, vol.21
, pp. 53-77
-
-
Sabatini, A.1
Vacca, A.2
Gans, P.3
-
24
-
-
33845406874
-
-
http://www.bio-logic.info/rapid-kinetics/specfit.html, 2005
-
(2005)
-
-
-
25
-
-
46549104858
-
Calculation of equilibrium constants from multiwavelength spectroscopic data - II SPECFIT: Two user-friendly programs in BASIC and standard FORTRAN 77
-
Gampp, H. and Maeder, M. and Meyer, C. and Zuberbuehler, A. (1985) Calculation of equilibrium constants from multiwavelength spectroscopic data - II SPECFIT: Two user-friendly programs in BASIC and standard FORTRAN 77. Talanta, 32, pp. 257-264.
-
(1985)
Talanta
, vol.32
, pp. 257-264
-
-
Gampp, H.1
Maeder, M.2
Meyer, C.3
Zuberbuehler, A.4
-
27
-
-
0000218949
-
Miniquad - A general computer programme for the computation of formation constants from potentiometric data
-
Leggett, D. and Kelly, S. and Shiue, L. and Wu, Y. and Chang, D. and Kadish, K. (1983) Miniquad - A general computer programme for the computation of formation constants from potentiometric data. Talanta, 30, pp. 579-586.
-
(1983)
Talanta
, vol.30
, pp. 579-586
-
-
Leggett, D.1
Kelly, S.2
Shiue, L.3
Wu, Y.4
Chang, D.5
Kadish, K.6
-
28
-
-
0030728038
-
Second order global analysis: The evaluation of series of spectrophotometric titrations for improved determination of equilibrium constants
-
Dyson, R. and Kaderli, S. and Lawrance, G. and Maeder, M. and Zuberbühler, A. (1997) Second order global analysis: The evaluation of series of spectrophotometric titrations for improved determination of equilibrium constants. Analytica Chimica Acta, 353, pp. 381-395.
-
(1997)
Analytica Chimica Acta
, vol.353
, pp. 381-395
-
-
Dyson, R.1
Kaderli, S.2
Lawrance, G.3
Maeder, M.4
Zuberbühler, A.5
-
29
-
-
0038640858
-
Analysis of reactions in aqueous solution at non-constant pH: No more buffers?
-
Maeder, M. and Neuhold, Y. and Puxty, G. and King, P. (2003) Analysis of reactions in aqueous solution at non-constant pH: No more buffers? Phys. Chem. Chem. Phys., 5, pp. 2836-2841.
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, pp. 2836-2841
-
-
Maeder, M.1
Neuhold, Y.2
Puxty, G.3
King, P.4
-
30
-
-
33845408420
-
-
http://www.photophysics.com/prokii.php, 2005
-
(2005)
-
-
-
32
-
-
84943099293
-
General nonlinear least-squares program for the numerical treatment of spectrophotometric data on a single-precision game computer
-
Gampp, H. and Maeder, M. and Zuberbuehler, A. (1980) General nonlinear least-squares program for the numerical treatment of spectrophotometric data on a single-precision game computer. Talanta, 27, pp. 1037-1045.
-
(1980)
Talanta
, vol.27
, pp. 1037-1045
-
-
Gampp, H.1
Maeder, M.2
Zuberbuehler, A.3
-
33
-
-
0033964995
-
Target testing procedure for determining chemical kinetics from spectroscopic data with absorption shifts and baseline drift
-
Furusjo, E. and Danielsson, L. (2000) Target testing procedure for determining chemical kinetics from spectroscopic data with absorption shifts and baseline drift Chemometrics and Intelligent Laboratory Systems, 50, pp. 63-73.
-
(2000)
Chemometrics and Intelligent Laboratory Systems
, vol.50
, pp. 63-73
-
-
Furusjo, E.1
Danielsson, L.2
-
34
-
-
0034893024
-
Target transform fitting: A new method for the non-linear fitting of multivariate data with separable parameters
-
Jandanklang, P. and Maeder, M. (2001) Target transform fitting: A new method for the non-linear fitting of multivariate data with separable parameters. Journal of Chemometrics, 15, pp. 511-522.
-
(2001)
Journal of Chemometrics
, vol.15
, pp. 511-522
-
-
Jandanklang, P.1
Maeder, M.2
-
35
-
-
0037471421
-
Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy
-
Furusjo, E. and Svensson, O. and Danielsson, L.-G. (2003) Estimation of kinetic parameters from non-isothermal batch experiments monitored by in situ vibrational spectroscopy. Chemometrics and Intelligent Laboratory Systems, 66, pp. 1-14.
-
(2003)
Chemometrics and Intelligent Laboratory Systems
, vol.66
, pp. 1-14
-
-
Furusjo, E.1
Svensson, O.2
Danielsson, L.-G.3
-
36
-
-
18844411838
-
Multiwavelength spectrophotometric determination of protolytic constants of 4-(2-pyridylazo) resorcinol (PAR) in binary DMF-water mixtures
-
Rouhollahi, A. and Kiaie, F. and Ghasemi, J. (2005) Multiwavelength spectrophotometric determination of protolytic constants of 4-(2-pyridylazo) resorcinol (PAR) in binary DMF-water mixtures. Talanta, 66, pp. 653-658.
-
(2005)
Talanta
, vol.66
, pp. 653-658
-
-
Rouhollahi, A.1
Kiaie, F.2
Ghasemi, J.3
-
37
-
-
0142134308
-
Analyses of three-way data from equilibrium and kinetic investigations
-
Dyson, R. and Maeder, M. and Neuhold, Y.-M. and Puxty, G. (2003) Analyses of three-way data from equilibrium and kinetic investigations. Analytica Chimica Acta, 490, pp. 99-108.
-
(2003)
Analytica Chimica Acta
, vol.490
, pp. 99-108
-
-
Dyson, R.1
Maeder, M.2
Neuhold, Y.-M.3
Puxty, G.4
-
38
-
-
0001791216
-
Multivariate curve resolution applied to three-way trilinear data: Study of a spectrofluorimetric acid-base titration of salicylic acid at three excitation wavelengths
-
Tauler, R. and Marques, I. and Casassas, E. (1998) Multivariate curve resolution applied to three-way trilinear data: Study of a spectrofluorimetric acid-base titration of salicylic acid at three excitation wavelengths. Journal of Chemometrics, 12, pp. 55-75.
-
(1998)
Journal of Chemometrics
, vol.12
, pp. 55-75
-
-
Tauler, R.1
Marques, I.2
Casassas, E.3
-
39
-
-
0000750574
-
The kinetic analysis of non-isothermal data
-
Malek, J. (1992) The kinetic analysis of non-isothermal data. Thermochimica Acta, 200, pp. 257-270.
-
(1992)
Thermochimica Acta
, vol.200
, pp. 257-270
-
-
Malek, J.1
-
40
-
-
0031023525
-
Analysis of non-isothermal kinetic measurements
-
Maeder, M. and Molloy, K. and Schumacher, M. (1997) Analysis of non-isothermal kinetic measurements. Analytica Chimica Acta, 337, pp. 73-83.
-
(1997)
Analytica Chimica Acta
, vol.337
, pp. 73-83
-
-
Maeder, M.1
Molloy, K.2
Schumacher, M.3
-
41
-
-
2342567084
-
Calibration-free estimates of batch process yields and detection of process upsets using in situ spectroscopic measurements and nonisothermal kinetic models: 4-(Dimethylamino)pyridine-catalyzed esterification of butanol
-
Gemperline, P. and Puxty, G. and Maeder, M. and Walker, D. and Tarczynski, F. and Bosserman, M. (2004) Calibration-free estimates of batch process yields and detection of process upsets using in situ spectroscopic measurements and nonisothermal kinetic models: 4-(Dimethylamino)pyridine-catalyzed esterification of butanol. Analytical Chemistry, 76, pp. 2575-2582.
-
(2004)
Analytical Chemistry
, vol.76
, pp. 2575-2582
-
-
Gemperline, P.1
Puxty, G.2
Maeder, M.3
Walker, D.4
Tarczynski, F.5
Bosserman, M.6
-
42
-
-
33845415934
-
-
Pettit, L. and Buzko, V. and Puigdomenech, I. and Sukhno, I. and Wanner, H. http://www.iupac.org/projects/2000/2000-003-1-500.html, 2005
-
(2005)
-
-
Pettit, L.1
Buzko, V.2
Puigdomenech, I.3
Sukhno, I.4
Wanner, H.5
-
43
-
-
0032780618
-
Noncomplexing tertiary amines as "better" buffers covering the range of pH 3-11. Temperature dependence of their acid dissociation constants
-
Kandegedara, A. and Rorabacher, D. (1999) Noncomplexing tertiary amines as "better" buffers covering the range of pH 3-11. Temperature dependence of their acid dissociation constants. Analytical Chemistry, 71, pp. 3140-3145.
-
(1999)
Analytical Chemistry
, vol.71
, pp. 3140-3145
-
-
Kandegedara, A.1
Rorabacher, D.2
-
44
-
-
10044254301
-
Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm
-
Zogg, A. and Fischer, U. and Hungerbuehler, K. (2004) Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm. Chemical Engineering Science, 59, pp. 5795-5806.
-
(2004)
Chemical Engineering Science
, vol.59
, pp. 5795-5806
-
-
Zogg, A.1
Fischer, U.2
Hungerbuehler, K.3
-
45
-
-
2342516067
-
A new approach for a combined evaluation of calorimetric and online infrared data to identify kinetic and thermodynamic parameters of a chemical reaction
-
Zogg, A. and Fischer, U. and Hungerbuhler, K. (2004) A new approach for a combined evaluation of calorimetric and online infrared data to identify kinetic and thermodynamic parameters of a chemical reaction. Chemometrics and Intelligent Laboratory Systems, 71, pp. 165-176.
-
(2004)
Chemometrics and Intelligent Laboratory Systems
, vol.71
, pp. 165-176
-
-
Zogg, A.1
Fischer, U.2
Hungerbuhler, K.3
-
46
-
-
32444439988
-
Modeling of batch reactions with in situ spectrocopic measurements and calorimetry
-
Puxty, G. and Maeder, M. and Rhinehart, R. and Alam, S. and Moore, S. and Gemperline, P. (2006) Modeling of batch reactions with in situ spectrocopic measurements and calorimetry Journal of Chemometrics, 19, pp. 329-340.
-
(2006)
Journal of Chemometrics
, vol.19
, pp. 329-340
-
-
Puxty, G.1
Maeder, M.2
Rhinehart, R.3
Alam, S.4
Moore, S.5
Gemperline, P.6
|