Clinoptilolite, 312, 317, 318, 325
Coherent Potential Approximation (CPA), 37
Coil-to-globule transition, 226, 239, 243–245,
252, 253, 256, 260
Compression module, 103
COnductor-like Screening MOdel (COSMO),
33
Configuration Interaction approximation, 14,
40
Confocal microscopy, 155
Conformational cooling, 208
Continuous random network theory, 459, 462
Corrole, 97, 100, 106–112, 114–117
Corrole-fullerene dyad, 97, 108, 110–112, 115,
116
Coupled Cluster Theory, 14, 40
Cristobalite, 458, 460–463, 468, 470, 471
Cross-relaxation, 432
Crystallite theory, 458–460, 462, 479
Crystallization temperature, 429, 433
C 2v structure, 106
Cultural heritage, 483–486, 497
Curie temperature, 284–286, 289
Cyclosilicates, 307, 312
D
D-band, 123, 125
Decomposition, 464–466, 470–477
Deconvolution, 465, 466
Degree of polymerization, 472, 479
Density Functional Theory (DFT), 1, 6, 14–16,
20–22, 26–29, 40–42, 97, 107–109,
113, 114, 304
Deuteration, 412, 416, 417
Devitrificate, 478
Dexter, 111
Differential Scanning Calorimetry (DSC), 200,
442
Diffuse Reflectance Infrared Spectroscopy
(DRIFT), 340–346
Disorder, 280, 286, 290, 291, 296
Disordered structure, 467, 468
Dissipative Particle Dynamics (DPD), 248
Disulfide, 202, 212
DM interaction, 288
Donor, 102, 103, 105, 110, 113–115
Doublet, 290, 294, 296
Drug screening, 176
D 2h structure, 100
D 4h structure, 100, 106
Dynamic Lattice Liquid (DLL) model, 249,
250
Dynamics of volume phase transition, 239,
250, 252
E
Effective Scaling Factor (ESF), 50, 83, 86
Effective Scaling Frequency Factor method
(ESFF), 49, 80–82, 84–87, 89–91
Electrical-Optical-Circuit-Boards (EOCB),
406, 416
Electron density, 276, 277, 281, 282
Electron transfer, 99, 101–103, 105, 110, 111,
113, 116
Endogenous non-linear optics, 139
Endothelium, 161, 171, 172, 184
Energy level diagram, 431, 436–438, 444
Energy migration, 448
Energy transfer, 98, 102–105, 110, 111, 115,
116, 427, 428, 434, 437, 438, 440, 443,
444, 446, 450, 453
Energy Transfer Upconversion (ETU), 443
Ergothioneine, 201
Exchange-correlation, 41
Exchange interaction, 295, 296
Excitation spectra, 440
Excited State Absorption (ESA), 443, 447
F
Factors’ optimization, 80, 90
FAU structure type, 315, 317, 319
Fermi contact field, 278
Ferrierite, 317, 318
FER structure type, 316–318
Fiber optics reflectance spectroscopy, 483, 490,
501
Flory’s theory, 225
Fluorescein, 151
Fluorescence kinetics, 107, 111
Fluorescence quenching, 99, 105
Fluorescent Intensity Ratio (FIR), 433
Fock operator, 12, 13
Force constants, 49
Force Field (FF), 49, 52, 60, 64
Förster long-range resonance excitation energy
transfer (FRET), 110
Fourier Transform Infrared Spectroscopy
(FT-IR spectroscopy), 103, 107, 335,
337, 338, 340–342, 344–346, 353, 364,
365, 370, 380, 393
Free-base, 100, 101, 107, 108, 114
Fullerene, 97, 98, 106, 109–111, 114–117
G
Gaussian distribution, 291, 292
G-band, 123–125, 127–134
Gel electrophoresis, 144
Generalized Gradient Approximation (GGA),
18–21, 41
520
Index
Coherent Potential Approximation (CPA), 37
Coil-to-globule transition, 226, 239, 243–245,
252, 253, 256, 260
Compression module, 103
COnductor-like Screening MOdel (COSMO),
33
Configuration Interaction approximation, 14,
40
Confocal microscopy, 155
Conformational cooling, 208
Continuous random network theory, 459, 462
Corrole, 97, 100, 106–112, 114–117
Corrole-fullerene dyad, 97, 108, 110–112, 115,
116
Coupled Cluster Theory, 14, 40
Cristobalite, 458, 460–463, 468, 470, 471
Cross-relaxation, 432
Crystallite theory, 458–460, 462, 479
Crystallization temperature, 429, 433
C 2v structure, 106
Cultural heritage, 483–486, 497
Curie temperature, 284–286, 289
Cyclosilicates, 307, 312
D
D-band, 123, 125
Decomposition, 464–466, 470–477
Deconvolution, 465, 466
Degree of polymerization, 472, 479
Density Functional Theory (DFT), 1, 6, 14–16,
20–22, 26–29, 40–42, 97, 107–109,
113, 114, 304
Deuteration, 412, 416, 417
Devitrificate, 478
Dexter, 111
Differential Scanning Calorimetry (DSC), 200,
442
Diffuse Reflectance Infrared Spectroscopy
(DRIFT), 340–346
Disorder, 280, 286, 290, 291, 296
Disordered structure, 467, 468
Dissipative Particle Dynamics (DPD), 248
Disulfide, 202, 212
DM interaction, 288
Donor, 102, 103, 105, 110, 113–115
Doublet, 290, 294, 296
Drug screening, 176
D 2h structure, 100
D 4h structure, 100, 106
Dynamic Lattice Liquid (DLL) model, 249,
250
Dynamics of volume phase transition, 239,
250, 252
E
Effective Scaling Factor (ESF), 50, 83, 86
Effective Scaling Frequency Factor method
(ESFF), 49, 80–82, 84–87, 89–91
Electrical-Optical-Circuit-Boards (EOCB),
406, 416
Electron density, 276, 277, 281, 282
Electron transfer, 99, 101–103, 105, 110, 111,
113, 116
Endogenous non-linear optics, 139
Endothelium, 161, 171, 172, 184
Energy level diagram, 431, 436–438, 444
Energy migration, 448
Energy transfer, 98, 102–105, 110, 111, 115,
116, 427, 428, 434, 437, 438, 440, 443,
444, 446, 450, 453
Energy Transfer Upconversion (ETU), 443
Ergothioneine, 201
Exchange-correlation, 41
Exchange interaction, 295, 296
Excitation spectra, 440
Excited State Absorption (ESA), 443, 447
F
Factors’ optimization, 80, 90
FAU structure type, 315, 317, 319
Fermi contact field, 278
Ferrierite, 317, 318
FER structure type, 316–318
Fiber optics reflectance spectroscopy, 483, 490,
501
Flory’s theory, 225
Fluorescein, 151
Fluorescence kinetics, 107, 111
Fluorescence quenching, 99, 105
Fluorescent Intensity Ratio (FIR), 433
Fock operator, 12, 13
Force constants, 49
Force Field (FF), 49, 52, 60, 64
Förster long-range resonance excitation energy
transfer (FRET), 110
Fourier Transform Infrared Spectroscopy
(FT-IR spectroscopy), 103, 107, 335,
337, 338, 340–342, 344–346, 353, 364,
365, 370, 380, 393
Free-base, 100, 101, 107, 108, 114
Fullerene, 97, 98, 106, 109–111, 114–117
G
Gaussian distribution, 291, 292
G-band, 123–125, 127–134
Gel electrophoresis, 144
Generalized Gradient Approximation (GGA),
18–21, 41
520
Index