Marcus, 111, 116
Mass spectrometry (MS), 144, 145, 345
Mass tensor, 62, 84
Matrix isolation, 199–201, 216, 219
Medieval manuscripts, 487, 491
Medium polarization, 140
Mercaptoimidazoles, 199, 201, 208, 209, 219
Merocyanine, 102
Mesomeric structures, 206, 207
Meta-Generalized Gradient Approximation
(MGGA), 18, 20
Metal nanoclusters, 140, 142, 144
Metal oxide catalysts, 338–340, 345
Microfading tests, 484, 502, 506
Molecular aggregate, 104, 105
Molecular Dynamics (MD), 232, 247
Molecular switches, 209
Molecular vibrations, 108, 109
Møller-Plesset Perturbation Theory, 14, 40
Monopole interaction, 276
Monte Carlo (MC) methods, 249
Moore–Penrose inverse, 78, 84
Mordenite, 317, 318, 325
MOR structure type, 316–318
Mössbauer effect, 275, 276, 278, 290–294
Multicomponent glasses, 477, 479
Multiferroic, 283, 284, 289, 294, 296
Multimode waveguide materials, 402
Multi-photon optics, 140
Multivariate Curve Resolution Alternating
Least Squares (MCR-ALS), 341, 342
Multi-Walled Carbon Nanotube (MWCNT),
123–135
N
Nanoparticles, 427, 432, 434, 436–438, 440,
443, 454
Nanophotonics, 434
Natural Bond Orbital (NBO), 206
Natural Internal Coordinates (NICs), 53, 73,
77–79, 81, 82, 85
Near-infrared (NIR) spectroscopy, 402, 405,
414, 416
Near-infrared loss spectrum, 401, 414
Néel temperature, 286, 288, 291, 296
Nitrogen oxide probe molecule, 338, 339
NMR spectroscopy
1
H NMR spectroscopy, 367, 374, 379
29
Si NMR spectroscopy, 365, 366, 370,
373, 377, 378, 381, 383, 386, 388, 390,
392, 394
Non-local xc functionals, 21
Normal modes of vibrations, 3, 5, 23, 24
Normal vibrations, 61, 86
N-vinylidenemethanamine, 211
Nyquist rule, 409
O
Operando Spectroscopy, 336
Optical fiber, 427–429, 432, 435, 440, 441,
443–445, 447–453
Optical glasses, 428
Optical insertion loss, 402, 405, 408, 409,
420–423
Optical loss, 409, 413, 414, 416–419, 421–423
Optical propagation loss, 420
Optical siloxane-based polymers, 402
Organofunctional octahedral oligomeric
silsesquioxnes, 383
Organofunctional spherosiloxanes, 361
Ovothiol, 201
Oxide glasses, 429
P
PED coefficients, 82, 91
Pentasils, 317, 318
Periodic structure model, 325
Perovskite, 38, 273, 274, 284–290, 292
Perturbation approach, 56, 58
Phonon energy, 428–430, 444, 450, 453
Photoacoustic (PAS), 340
Photochemistry, 199, 201, 219
PhotoInduced Detachment Association
mechanism (PIDA), 209
Photonic glasses, 427–429, 444
pH-responsive systems, 228, 236, 238, 259
Phthalocyanine, 98–107, 116, 117
Pigments, 484, 485, 487–490, 492–496, 502
Plasmon resonance, 434, 438, 440, 454
Polarizable Continuum Model (PCM), 33
Polyhedral Oligomeric Silsesquioxanes
(POSS), 362, 387–389
Poly(2-(2-methoxyethoxy) ethyl methacrylate)
PMEO2MA, 240, 253
Poly(N-isopropylacrylamide)—PNIPAM, 240,
250
Polydimethylsiloxane (PDMS) polymers,
401–412, 414, 416–423
Polymer chain, 225–227, 230, 231, 235–237,
239, 242, 244, 245, 250, 251, 254, 255,
259
Polymer gel, 232, 242, 252
Polymer hydrogel, 243, 253
Polymer network, 224, 243, 244, 250
Polymer optical fibres (POF), 402
Polymer-solvent interactions, 226, 228
522
Index
Mass spectrometry (MS), 144, 145, 345
Mass tensor, 62, 84
Matrix isolation, 199–201, 216, 219
Medieval manuscripts, 487, 491
Medium polarization, 140
Mercaptoimidazoles, 199, 201, 208, 209, 219
Merocyanine, 102
Mesomeric structures, 206, 207
Meta-Generalized Gradient Approximation
(MGGA), 18, 20
Metal nanoclusters, 140, 142, 144
Metal oxide catalysts, 338–340, 345
Microfading tests, 484, 502, 506
Molecular aggregate, 104, 105
Molecular Dynamics (MD), 232, 247
Molecular switches, 209
Molecular vibrations, 108, 109
Møller-Plesset Perturbation Theory, 14, 40
Monopole interaction, 276
Monte Carlo (MC) methods, 249
Moore–Penrose inverse, 78, 84
Mordenite, 317, 318, 325
MOR structure type, 316–318
Mössbauer effect, 275, 276, 278, 290–294
Multicomponent glasses, 477, 479
Multiferroic, 283, 284, 289, 294, 296
Multimode waveguide materials, 402
Multi-photon optics, 140
Multivariate Curve Resolution Alternating
Least Squares (MCR-ALS), 341, 342
Multi-Walled Carbon Nanotube (MWCNT),
123–135
N
Nanoparticles, 427, 432, 434, 436–438, 440,
443, 454
Nanophotonics, 434
Natural Bond Orbital (NBO), 206
Natural Internal Coordinates (NICs), 53, 73,
77–79, 81, 82, 85
Near-infrared (NIR) spectroscopy, 402, 405,
414, 416
Near-infrared loss spectrum, 401, 414
Néel temperature, 286, 288, 291, 296
Nitrogen oxide probe molecule, 338, 339
NMR spectroscopy
1
H NMR spectroscopy, 367, 374, 379
29
Si NMR spectroscopy, 365, 366, 370,
373, 377, 378, 381, 383, 386, 388, 390,
392, 394
Non-local xc functionals, 21
Normal modes of vibrations, 3, 5, 23, 24
Normal vibrations, 61, 86
N-vinylidenemethanamine, 211
Nyquist rule, 409
O
Operando Spectroscopy, 336
Optical fiber, 427–429, 432, 435, 440, 441,
443–445, 447–453
Optical glasses, 428
Optical insertion loss, 402, 405, 408, 409,
420–423
Optical loss, 409, 413, 414, 416–419, 421–423
Optical propagation loss, 420
Optical siloxane-based polymers, 402
Organofunctional octahedral oligomeric
silsesquioxnes, 383
Organofunctional spherosiloxanes, 361
Ovothiol, 201
Oxide glasses, 429
P
PED coefficients, 82, 91
Pentasils, 317, 318
Periodic structure model, 325
Perovskite, 38, 273, 274, 284–290, 292
Perturbation approach, 56, 58
Phonon energy, 428–430, 444, 450, 453
Photoacoustic (PAS), 340
Photochemistry, 199, 201, 219
PhotoInduced Detachment Association
mechanism (PIDA), 209
Photonic glasses, 427–429, 444
pH-responsive systems, 228, 236, 238, 259
Phthalocyanine, 98–107, 116, 117
Pigments, 484, 485, 487–490, 492–496, 502
Plasmon resonance, 434, 438, 440, 454
Polarizable Continuum Model (PCM), 33
Polyhedral Oligomeric Silsesquioxanes
(POSS), 362, 387–389
Poly(2-(2-methoxyethoxy) ethyl methacrylate)
PMEO2MA, 240, 253
Poly(N-isopropylacrylamide)—PNIPAM, 240,
250
Polydimethylsiloxane (PDMS) polymers,
401–412, 414, 416–423
Polymer chain, 225–227, 230, 231, 235–237,
239, 242, 244, 245, 250, 251, 254, 255,
259
Polymer gel, 232, 242, 252
Polymer hydrogel, 243, 253
Polymer network, 224, 243, 244, 250
Polymer optical fibres (POF), 402
Polymer-solvent interactions, 226, 228
522
Index