## Acronyms and Abbreviations

+R (in 1 term)π-electron acceptor/donor group−R (in 1 term)π-electron acceptor/donor group3D-QSAR (in 2 terms)comparative molecular field analysis (CoMFA)3D-QSAR (three-dimensional quantitative structure–activity relationships)A (in 1 term)nucleotide basesabs (in 1 term)absorbance, AAC (in 1 term)frequency-domain fluorometryACGIH (in 1 term)threshold limit value (TLV)ADMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)AM (in 1 term)AM 0 sunlightAM 0 (in 1 term)AM 0 sunlightAM 1 (in 1 term)AM 1 sunlightAMR (in 1 term)attractive–mixed–repulsive (AMR) classificationANN (in 2 terms)artificial neural networkspattern recognitionAOM (in 1 term)angular overlap model (AOM)ATP (in 2 terms)catabolismyield in biotechnology, YBAPMoN (in 1 term)air monitoring station in atmospheric chemistryBBO (in 1 term)optical parametric oscillatorBDE (in 1 term)bond-dissociation energy (BDE) in theoretical chemistryBET (in 1 term)microporous carbonBO (in 1 term)Born–Oppenheimer (BO) approximationBP (in 1 term)bicycle-pedal (BP) mechanismBSE (in 1 term)back scattered electrons (BSEs) in in situ microanalysisBSEs (in 1 term)back scatter coefficient in in situ microanalysisBSS (in 1 term)Rutherford backscattering (RBS)C (in 1 term)nucleotide basesc.m.c. (in 1 term)critical micelle concentrationCADD (in 1 term)computer-assisted drug design (CADD)CAMD (in 1 term)computer-assisted molecular design (CAMD)CAMM (in 1 term)computer-assisted molecular modeling (CAMM)CARS (in 1 term)non-linear optical techniquesCASPT_{2} (in 1 term)complete active space self-consistent field second-order perturbation theory (CASPT2)CASSCF (in 2 terms)complete active space self-consistent field (CASSCF)complete active space self-consistent field second-order perturbation theory (CASPT2)CC (in 1 term)coupled cluster (CC) methodCCD (in 1 term)charge-transfer device in radiation detectionCCN (in 1 term)condensation nuclei (CN) in atmospheric chemistryCCSD (in 1 term)spin-flip methodCD (in 3 terms)chiroptic/chiropticalcircular dichroism (CD)dichroismcDNA (in 1 term)complementary DNA (cDNA)CEI (in 1 term)photon flux, qp, ΦpCEM (in 1 term)photomultiplier tubeCI (in 3 terms)complete active space self-consistent field (CASSCF)configuration interaction (CI)natural orbitalCID (in 2 terms)charge-transfer device in radiation detectionmulticonfiguration SCF methodCIDEP (in 2 terms)chemically induced dynamic electron polarization (CIDEP)CIDEP (Chemically Induced Dynamic Electron Polarization)CIDNP (in 3 terms)CIDNP (Chemically Induced Dynamic Nuclear Polarization)radical pair (geminate pair)stimulated emissionCIE (in 2 terms)infraredultravioletCIEEL (in 2 terms)chemically initiated electron exchange luminescence (CIEEL)CIEEL (Chemically Initiated Electron Exchange Luminescence)CIP (in 3 terms)CIP prioritypriorityRe, SiCIPM (in 1 term)millimetre of mercuryCIS (in 1 term)multiconfiguration SCF methodCISD (in 1 term)multiconfiguration SCF methodcmc (in 1 term)critical micelle concentrationCMP (in 1 term)chemical measurement process (CMP)CN (in 1 term)condensation nuclei (CN) in atmospheric chemistryCoMFA (in 1 term)comparative molecular field analysis (CoMFA)CPL (in 1 term)chiroptic/chiropticalCRU (in 1 term)constitutional repeating unit (CRU) in polymersCT (in 3 terms)charge-transfer (CT) statecharge-transfer (CT) transitionCTCTTS (in 1 term)charge transfer transition to solvent (CTTS)CVD (in 4 terms)diamond by CVDgas-phase-grown carbon fibrespyrolytic carbonsynthetic graphiteCVTST (in 1 term)canonical variational transition-state theory (CVTST)CW (in 10 terms)argon ion lasercontinuous wave (CW) laserCWdye laserFourier-transform spectroscopyion lasersingle-photon timingsolid state laserstime-correlated single photon countingtunable laser in spectrochemical analysisDAS (in 2 terms)DASglobal analysisDC (in 1 term)frequency-domain fluorometryDCCA (in 1 term)drying control chemical additiveDE (in 1 term)delocalization energy (DE)DEDMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)DFDMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)DFG (in 1 term)parametric processesDFT (in 1 term)time-dependent density functional theoryDLC (in 1 term)diamond-like carbon filmsDN (in 1 term)donor number (DN)DNA (in 13 terms)blotting in biotechnologychromosomeclonecomplementary DNA (cDNA)deoxyribonucleic acids (DNA)DNA probeexonexpression in biotechnologygene librarygene manipulationgenomehistoneshybridizationDRP (in 1 term)dynamic reaction path (DRP)DSC (in 1 term)differential scanning calorimetry (DSC)DTA (in 1 term)differential thermal analysis (DTA)DZ (in 1 term)basis setECL (in 1 term)electrogenerated chemiluminescence (ECL)EES (in 1 term)excitation-emission spectrumEGA (in 1 term)evolved gas analysis (EGA)EGD (in 1 term)evolved gas detection (EGD)EHMO (in 1 term)extended Hückel MO method (EHMO)ELISA (in 1 term)immunoassayemf (in 2 terms)electric potential difference of a galvanic cell, ΔVmembrane emfEPMA (in 1 term)electron probe microanalysis (EPMA)EPR (in 5 terms)coupling constant (spin-spin), Jelectron paramagnetic resonance (EPR)magnetic circular dichroismmagnetic resonance imaging (MRI)spin densityEPXMA (in 1 term)electron probe X-ray microanalysis (EPXMA)ESCA (in 3 terms)electron spectroscopy for chemical analysis (ESCA)photoelectron spectroscopy (PES)X-ray photoelectron spectroscopy (XPS)ESR (in 6 terms)chemically induced dynamic electron polarization (CIDEP)CIDEP (Chemically Induced Dynamic Electron Polarization)electron paramagnetic resonance (EPR)hyperfine couplingspin densityspin labelev (in 1 term)bioavailabilty in pharmacokineticsEXAFS (in 1 term)extended X-ray absorption fine structure (EXAFS)FAB (in 1 term)fast-atom bombardment (FAB) mass spectroscopyFDMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)FET (in 1 term)phototransistorFRET (in 3 terms)fluorescence resonance energy transferFörster-resonance-energy transfer FRETFRETFT-ICR (in 1 term)Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometerFT-MS (in 1 term)Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometerFTIR (in 1 term)Fourier-transform spectroscopyFTS (in 1 term)multiplex spectrometerFVP (in 1 term)flash vacuum pyrolysis (FVP)FWHM (in 4 terms)FWHM (Full Width at Half Maximum)half-width of a bandline widthresolutionG (in 1 term)nucleotide basesGC (in 1 term)gas chromatography (GC)gff (in 1 term)general force fieldGPC (in 1 term)exclusion chromatographyH (in 1 term)immunoglobulin (Ig)h.e.e.t.p. (in 1 term)height equivalent to an effective theoretical plate in chromatographyHBA (in 1 term)protophilic (solvent)HETP (in 1 term)plate height in chromatography, HeffHM (in 2 terms)carbon fibres type HMpitch-based carbon fibresHMO (in 4 terms)atom-atom polarizabilityatom-bond polarizabilityextended Hückel MO method (EHMO)Hückel molecular orbital (HMO) theoryHOMO (in 4 terms)frontier orbitalshomolow-spin statesubjacent orbitalHOPG (in 3 terms)highly oriented pyrolytic graphitepolycrystalline graphitepyrolytic graphiteHPLC (in 1 term)liquid chromatography (LC)HRELS (in 1 term)high resolution energy loss spectroscopy (HRELS)HT (in 3 terms)carbon fibres type HTcarbon fibres type IMhula-twist (HT) mechanismHWHM (in 2 terms)HWHM (Half Width at Half Maximum)line widthIC (in 1 term)ion-exchange chromatographyICR (in 2 terms)Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometerion cyclotron resonance (ICR) mass spectrometerICT (in 3 terms)ICTICT emissionintramolecular charge transfer, (ICT)ICVTST (in 1 term)improved canonical variational transition-state theory (ICVTST)Ig (in 1 term)immunoglobulin (Ig)IGLO (in 1 term)individual gauge for localized orbitals (IGLO)IHP (in 1 term)inner Helmholtz plane (IHP)IM (in 1 term)carbon fibres type IMIOP (in 1 term)inorganic–organic polymerIPMA (in 1 term)ion probe microanalysis (IPMA)IPN (in 2 terms)interpenetrating polymer networksemi-interpenetrating polymer networkIPT (in 1 term)individual perception threshold in atmospheric chemistryIR (in 3 terms)degree of crystallinity of a polymermagnetic circular dichroismphotochemistryISC (in 1 term)ISCISE (in 1 term)ion-selective electrode (ISE)ISO (in 5 terms)millimetre of mercurysubstance content, n/msubstance flow ratesubstance fraction, xtransport number, tISS (in 1 term)ion scattering spectrometry (ISS)IUPAC (in 1 term)mercaptansiv (in 1 term)bioavailabilty in pharmacokineticsIVFF (in 1 term)internal valence force fieldJECFA (in 1 term)acceptable daily intake (ADI)L (in 1 term)immunoglobulin (Ig)LADS (in 2 terms)global analysisLADSLAMES (in 1 term)laser micro emission spectroscopy (LAMES)LAMMS (in 1 term)laser micro mass spectrometry (LAMMS)LAS (in 2 terms)global analysisLASLB (in 1 term)Langmuir–Blodgett (LB) membraneLC (in 2 terms)lethal concentrationliquid chromatography (LC)LCAO (in 1 term)Hückel molecular orbital (HMO) theoryLCST (in 2 terms)miscibility gapupper critical solution temperatureLD (in 3 terms)dichroismlethal doselinear dichroism (LD)LED (in 2 terms)LEDlight-emitting diode (LED)LEED (in 1 term)low energy electron diffraction (LEED)LEP (in 1 term)London–Eyring–Polanyi (LEP) methodLEPS (in 1 term)London–Eyring–Polanyi–Sato (LEPS) methodLIDAR (in 1 term)LIDAR in atmospheric chemistryLLCT (in 1 term)ligand to ligand charge transfer (LLCT) transitionLM (in 2 terms)carbon fibres type LMpitch-based carbon fibresLMCT (in 1 term)ligand to metal charge transfer (LMCT) transitionLMO (in 1 term)localized molecular orbitals (LMO)LOAEL (in 2 terms)lowest observed adverse effect level (LOAEL)lowest-observed-adverse-effect-level (LOAEL)LOEL (in 1 term)lowest-observed-effect-level (LOEL)LRMA (in 1 term)laser Raman microanalysis (LRMA)LUMO (in 2 terms)frontier orbitalslow-spin stateM (in 1 term)helicityMAbs (in 1 term)monoclonal antibodies (MAbs)MC (in 1 term)Monte Carlo (MC), method ofMCD (in 1 term)magnetic circular dichroismMCPLC (in 3 terms)disruptorrigid chainspacerMCSCF (in 1 term)multiconfiguration SCF methodMERP (in 2 terms)minimum-energy reaction pathphotochemical reaction pathMLCT (in 2 terms)metal to ligand charge transfer (MLCT) transitionMLCTMLR (in 1 term)regression analysisMM (in 1 term)quantum mechanics/molecular mechanicsMMCT (in 1 term)metal to metal charge transfer (MMCT) transitionMO (in 8 terms)antibonding molecular orbitalaromaticityatomic chargebonding molecular orbitalextended Hückel MO method (EHMO)hydrogen bond in theoretical organic chemistrylocalized molecular orbitals (LMO)nonbonding molecular orbitalMOS (in 1 term)charge-transfer device in radiation detectionMP_{2} (in 1 term)spin-flip methodMP_{4} (in 1 term)coupled cluster (CC) methodMPA (in 1 term)Mulliken population analysis (MPA)MPL (in 1 term)maximum permissible level (MPL)MPP (in 3 terms)mesophase pitch-based carbon fibrespitch-based carbon fibresrayon-based carbon fibresMRCI (in 1 term)multireference configuration interactionMRI (in 1 term)magnetic resonance imaging (MRI)mRNA (in 4 terms)enzyme repressionexpression in biotechnologygene (cistron)genetic codeMSDS (in 1 term)material safety data sheet (MSDS)MTC (in 1 term)maximum tolerable concentration (MTC)MTD (in 2 terms)maximum tolerable dose (MTD)maximum tolerated dose (MTD)MTEL (in 1 term)maximum tolerable exposure level (MTEL)NAO (in 1 term)natural atomic orbital (NAO)NBO (in 1 term)natural bond orbital (NBO)NEXAFS (in 1 term)extended X-ray absorption fine structure (EXAFS)NHO (in 1 term)natural hybrid orbital (NHO)NHOMO (in 1 term)subjacent orbitalNIH (in 1 term)NIH shiftNMR (in 10 terms)aromaticchemical shift δCIDNP (Chemically Induced Dynamic Nuclear Polarization)coupling constant (spin-spin), Jindividual gauge for localized orbitals (IGLO)magic anglemagnetic resonance imaging (MRI)magnetization transferstereochemical non-rigiditystructure-based design in drug designNO (in 1 term)natural orbitalNOAEL (in 1 term)no observed adverse effect level (NOAEL)NOEL (in 1 term)no-observed-effect-level (NOEL)NPA (in 1 term)natural population analysis (NPA)OBF (in 2 terms)one-bond-fliphula-twist (HT) mechanismODMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)OHP (in 1 term)outer Helmholtz plane (OHP)OIP (in 1 term)organic–inorganic polymerOLED (in 2 terms)light-emitting diode (LED)OLEDOMA (in 1 term)optical multi-channel analyserOPA (in 2 terms)optical parametric amplificationparametric processesOPG (in 1 term)parametric processesOPO (in 2 terms)optical parametric oscillatorparametric processesORD (in 1 term)chiroptic/chiropticalOSHA (in 1 term)material safety data sheet (MSDS)p.d. (in 1 term)potential-determining (p.d.) ionsp.z.c. (in 2 terms)point of zero charge (p.z.c.)potential at the point of zero charge (p.z.c.)PA (in 1 term)proton affinityPAL (in 1 term)photoaffinity labellingPAN (in 2 terms)PAN-based carbon fibresrayon-based carbon fibresPC (in 1 term)planar chromatographyPCA (in 1 term)pattern recognitionPCR (in 1 term)polymerase chain reaction (PCR)PDC (in 1 term)polymer-derived ceramicPDMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)pe (in 1 term)primary electrons (pe) in in situ microanalysisPES (in 2 terms)energy hypersurface (synonymous with potential energy surface, PES)photoelectron spectroscopy (PES)pfhs (in 1 term)precipitation from homogeneous solution (pfhs) in analysisPICT (in 2 terms)planar intramolecular charge transferintramolecular charge transfer, (ICT)PIN (in 2 terms)photodiodePIN semiconductor detectorPIXE (in 1 term)characteristic X-ray emissionPLED (in 2 terms)light-emitting diode (LED)PLEDPLOT (in 2 terms)porous-layer open-tabular (PLOT) column in chromatographysupport-coated open-tubular (SCOT) column in chromatographyPLS (in 3 terms)partial least squares (PLS)pattern recognitionregression analysisPPP (in 1 term)Pariser–Parr–Pople (PPP) methodPTFE (in 1 term)bomb-digestion in spectrochemical analysisPVC (in 1 term)interfering substance in electroanalytical chemistryPVD (in 1 term)pyrolytic carbonQC/MM (in 1 term)quantum mechanics/molecular mechanicsQCT (in 1 term)quasi-classical trajectory (QCT) methodQM (in 1 term)quantum mechanics/molecular mechanicsQM/MM (in 1 term)quantum mechanics/molecular mechanicsQSAR (in 3 terms)correlation analysisquantitative structure–activity relationship (QSAR) in drug designquantitative structure–activity relationships (QSAR)R (in 2 terms)R, Splanar chiralityr (in 1 term)r, sradiant intensit (in 1 term)emission anisotropyRBS (in 1 term)Rutherford backscattering (RBS)REELS (in 2 terms)high resolution energy loss spectroscopy (HRELS)reflection electron energy loss spectroscopy (REELS)RfD (in 1 term)reference dose (RfD)RHEED (in 1 term)reflection high energy electron diffraction (RHEED)RHF (in 1 term)instability of Hartree–Fock solutionRIA (in 1 term)immunoassayRIM (in 2 terms)reaction injection mouldingreactive blendingRNA (in 3 terms)blotting in biotechnologycomplementary DNA (cDNA)hybridizationRP-HPLC (in 1 term)lipophilicityRRIM (in 1 term)reinforced reaction injection mouldingRRK (in 2 terms)Rice–Ramsperger–Kassel (RRK) theoryRice–Ramsperger–Kassel–Marcus (RRKM) theoryRRKM (in 1 term)Rice–Ramsperger–Kassel–Marcus (RRKM) theoryRYDMR (in 1 term)ODMR (Optically Detected Magnetic Resonance)S (in 2 terms)planar chiralityR, Ss (in 1 term)r, sSAED (in 1 term)transmission high energy electron diffraction (THEED)SAR (in 1 term)structure–activity relationship (SAR)SCF (in 4 terms)basis setcomplete active space self-consistent field (CASSCF)multireference configuration interactionspin-flip methodSCOT (in 1 term)support-coated open-tubular (SCOT) column in chromatographySCP (in 1 term)single cell protein (SCP)SEC (in 1 term)size-exclusion chromatography (SEC)SEM (in 1 term)scanning electron microscopy (SEM)SET (in 1 term)single-electron transfer mechanism (SET)SF (in 1 term)spin-flip methodSFC (in 1 term)supercritical fluid chromatography (SFC)SFG (in 1 term)parametric processesSGPLC (in 1 term)spacerSHG (in 1 term)parametric processesSI (in 5 terms)conversion cross-sectionphoton irradiance, Epspectral fluence rate, Eλ,ospectral radiant energy, Qλsystem of units of measurementSIMCA (in 1 term)pattern recognitionSIMS (in 1 term)ion microscopySIPN (in 1 term)semi-interpenetrating polymer networkSIX (in 1 term)solvent ion exchange (SIX)SLUMO (in 1 term)subjacent orbitalSMILES (in 1 term)SMILESSOMO (in 1 term)SOMOSPC (in 2 terms)quantitative structure–activity relationship (QSAR) in drug designstructure-property correlations (SPC)SR (in 1 term)racemateSTEL (in 1 term)threshold limit value (TLV)STEM (in 1 term)scanning transmission electron microscopy (STEM)STP (in 1 term)STPT (in 1 term)nucleotide basesTAC (in 2 terms)single-photon timingtime-correlated single photon countingTD-DFT (in 1 term)time-dependent density functional theoryTEELS (in 1 term)transmission electron energy loss spectroscopy (TEELS)TEM (in 3 terms)electron microscopyscanning transmission electron microscopy (STEM)transmission electron microscopy (TEM)TG (in 1 term)thermogravimetry (TG)THEED (in 1 term)transmission high energy electron diffraction (THEED)TICT (in 4 terms)intramolecular charge transfer, (ICT)TICT emissionTICT statetwisted intramolecular charge transferTLC (in 2 terms)lipophilicityplanar chromatographyTLV (in 1 term)threshold limit value (TLV)TMS (in 1 term)chemical shift δTRMC (in 1 term)time-resolved microwave conductivityTSEP (in 1 term)transient-stimulated emission pumpingTST (in 1 term)generalized transition-state theoryTTET (in 1 term)triplet-triplet energy transferTWA (in 1 term)threshold limit value (TLV)U (in 1 term)nucleotide basesUCST (in 2 terms)miscibility gapupper critical solution temperatureUHF (in 1 term)instability of Hartree–Fock solutionUHM (in 2 terms)carbon fibres type HMcarbon fibres type UHMUPS (in 2 terms)photoelectron spectroscopy (PES)UV photoelectron spectroscopyUV (in 11 terms)amalgam lampexcimer lampexcimer laserfrequency-domain fluorometryphotochemistryphotodegradationphotoelectron spectroscopy (PES)ultravioletUV doseUV photoelectron spectroscopyUV stabilizerUV-A (in 2 terms)Wood lamplow-pressure mercury lamp (arc)UV-B (in 1 term)ultravioletUV-C (in 1 term)ultravioletUV–VIS (in 1 term)low temperature UV–VIS absorption spectroscopyVUV (in 2 terms)ultravioletVUVW/O/W (in 1 term)lipid filmWCOT (in 1 term)wall-coated open-tubular (WCOT) column in chromatographyWMO (in 1 term)air monitoring station in atmospheric chemistryXPS (in 2 terms)photoelectron spectroscopy (PES)X-ray photoelectron spectroscopy (XPS)YAG (in 2 terms)neodymium laseroptical parametric oscillatorZDO (in 1 term)zero differential overlap (ZDO) approximationµVTST (in 1 term)microcanonical variational transition-state theory (µVTST)