Prasad L. Polavarapu
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Chemistry
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Physical Chemistry
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Chemistry
Prasad L. Polavarapu's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry Andhra University
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(Suggest an Edit or Addition)Prasad L. Polavarapu's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Ab initio vibrational Raman and Raman optical activity spectra (1990) (782)
- Optical rotation: recent advances in determining the absolute configuration. (2002) (197)
- Why is it important to simultaneously use more than one chiroptical spectroscopic method for determining the structures of chiral molecules? (2008) (162)
- Renaissance in chiroptical spectroscopic methods for molecular structure determination. (2007) (156)
- AB INITIO MOLECULAR OPTICAL ROTATIONS AND ABSOLUTE CONFIGURATIONS (1997) (149)
- Absolute Configuration of Bromochlorofluoromethane from Experimental and Ab Initio Theoretical Vibrational Raman Optical Activity (1997) (121)
- Vibrational circular dichroism in amino acids and peptides. 4. Vibrational analysis, assignments, and solution-phase Raman spectra of deuterated isotopomers of alanine (1982) (96)
- Vibrational Spectra: Principles and Applications with Emphasis on Optical Activity (1998) (90)
- Ab Initio computed molecular structures and energies of the conformers of glucose (1992) (87)
- Similarity in dissymmetry factor spectra: a quantitative measure of comparison between experimental and predicted vibrational circular dichroism. (2013) (77)
- Vibrational circular dichroism: a new spectroscopic tool for biomolecular structural determination (2000) (75)
- Kramers-Kronig transformation for optical rotatory dispersion studies. (2005) (70)
- Intrinsic rotation and molecular structure. (2003) (69)
- The absolute configuration of bromochlorofluoromethane. (2002) (67)
- Molecular structure determination using chiroptical spectroscopy: where we may go wrong? (2012) (65)
- Comparison of experimental and calculated chiroptical spectra for chiral molecular structure determination. (2014) (64)
- Experimental and ab initio theoretical vibrational Raman optical activity of alanine (1991) (64)
- A single chiroptical spectroscopic method may not be able to establish the absolute configurations of diastereomers: dimethylesters of hibiscus and garcinia acids. (2011) (64)
- ABSOLUTE STEREOCHEMISTRY OF CHIRAL MOLECULES FROM AB INITIO THEORETICAL AND EXPERIMENTAL MOLECULAR OPTICAL ROTATIONS (1998) (64)
- A thermal and solvocontrollable cylindrical nanoshutter based on a single screw-sense helical polyguanidine. (2005) (63)
- Vibrational circular dichroism of protein films. (2004) (61)
- Vibrational Circular Dichroism of -Hairpin Peptides (2000) (60)
- Structure of Aβ(25–35) Peptide in Different Environments (2004) (60)
- Solution-Phase Conformations of N-Acetyl-N‘-methyl-l-alaninamide from Vibrational Raman Optical Activity (1996) (60)
- Peer Reviewed: Chiral Analysis Using Mid-IR Vibrational CD Spectroscopy (2004) (58)
- Atropisomeric dihydroanthracenones as inhibitors of multiresistant Staphylococcus aureus. (2013) (58)
- Chiroptical Spectroscopy: Fundamentals and Applications (2016) (53)
- Helical Polyguanidines Prepared by Helix-Sense-Selective Polymerizations of Achiral Carbodiimides Using Enantiopure Binaphthol-Based Titanium Catalysts (2007) (52)
- Structural transitions in polyriboadenylic acid induced by the changes in pH and temperature: vibrational circular dichroism study in solution and film states. (2005) (52)
- Ab initio and experimental vibrational Raman optical activity in (+)-(R)-methylthiirane (1989) (51)
- Experimental Measurement and Ab Initio Calculation of Raman Optical Activity of L-Alanine and Its Deuterated Isotopomers (1995) (51)
- Understanding solvent effects in vibrational circular dichroism spectra: [1,1'-binaphthalene]-2,2'-diol in dichloromethane, acetonitrile, and dimethyl sulfoxide solvents. (2012) (47)
- Vibrational circular dichroism spectra of protein films: thermal denaturation of bovine serum albumin. (2004) (46)
- A comparison of ab initio optical rotations obtained with static and dynamic methods (1998) (45)
- Circular Dichroism of Designed Peptide Helices and β‐Hairpins: Analysis of Trp‐ and Tyr‐Rich Peptides (2005) (44)
- Protocols for the analysis of theoretical optical rotations. (2006) (43)
- Vibrational spectra of epoxypropane (1985) (43)
- Determination of the Absolute Configurations Using Exciton Chirality Method for Vibrational Circular Dichroism: Right Answers for the Wrong Reasons? (2015) (42)
- Molecular optical rotation: an evaluation of semiempirical models (2000) (40)
- Structure and Stereochemical Determination of Hypogeamicins from a Cave-Derived Actinomycete (2014) (38)
- Spectroscopic investigation of the structures of dialkyl tartrates and their cyclodextrin complexes. (2007) (38)
- A study of the conformations of valinomycin in solution phase. (2004) (37)
- Film Techniques for Vibrational Circular Dichroism Measurements (2005) (36)
- Evidence for covalent binding between copper ions and cyclodextrin cavity: a vibrational circular dichroism study. (1999) (36)
- Vibrational Raman optical activity in substituted oxiranes (1993) (36)
- On the complementarity of ECD and VCD techniques. (2014) (35)
- Conformational Stability of (+)-Epichlorohydrin (2000) (35)
- Determining the Conformer Populations of (R)-(+)-3-Methylcyclopentanone Using Vibrational Absorption, Vibrational Circular Dichroism, and Specific Rotation (2004) (34)
- Ab initio theoretical optical rotations of small molecules (1999) (34)
- CDSpecTech: A single software suite for multiple chiroptical spectroscopic analyses. (2017) (34)
- Absolute configuration of isoflurane (1992) (33)
- Light-controlled morphologies of self-assembled triarylamine-fullerene conjugates. (2015) (33)
- Absolute configuration of C2-symmetric spiroselenurane: 3,3,3',3'-tetramethyl-1,1'-spirobi[3 H,2,1]benzoxaselenole. (2005) (32)
- Ab initio and experimental Raman optical activity in (+)-(R)-methyloxirane (1990) (32)
- Wavelength-dependent conformational changes in collagen after mid-infrared laser ablation of cornea. (2008) (32)
- Quantitative Determination of Conformer Populations: Assessment of Specific Rotation, Vibrational Absorption, and Vibrational Circular Dichroism in Substituted Butynes (2004) (31)
- ROTATIONAL OPTICAL ACTIVITY (1987) (30)
- Importance of solvation in understanding the chiroptical spectra of natural products in solution phase: garcinia acid dimethyl ester. (2011) (29)
- Determination of Intermolecular Hydrogen Bonded Conformers of α-Aryloxypropanoic Acids Using Density Functional Theory Predictions of Vibrational Absorption and Vibrational Circular Dichroism Spectra. (2005) (28)
- Structural transition during thermal denaturation of collagen in the solution and film states. (2009) (28)
- Determination of the absolute configurations at stereogenic centers in the presence of axial chirality. (2009) (28)
- Absolute Configuration of a Rare Sesquiterpene: (+)-3-Ishwarone. (2014) (28)
- Experimental and ab initio theoretical vibrational Raman optical activity of tartaric acid (1992) (28)
- Vibrational circular dichroism of phenylcarbinols: a configurational correlation (1986) (28)
- Conformations of tartaric acid and its esters (1987) (27)
- Absolute configuration and predominant conformations of 1,1-dimethyl-2-phenylethyl phenyl sulfoxide. (2005) (27)
- Determination of the Structures of Chiral Natural Products Using Vibrational Circular Dichroism (2012) (27)
- Structures of plant viruses from vibrational circular dichroism. (2005) (27)
- Vibrational Circular Dichroism: Predominant Conformations and Intermolecular Interactions in (R)-(-)-2-Butanol (2000) (27)
- Fourier-transform infrared spectroscopy of sugars. Structural changes in aqueous solutions. (1983) (26)
- Atropoisomerism in Biflavones: The Absolute Configuration of (-)-Agathisflavone via Chiroptical Spectroscopy. (2016) (26)
- Vibrational optical activity in perturbed degenerate modes: Concepts and model calculations in 1‐substituted haloethanes (1980) (26)
- Vibrational Circular Dichroism Is a Sensitive Probe of the Glycosidic Linkage: Oligosaccharides of Glucose (1999) (26)
- MOLECULAR OPTICAL ROTATIONS AND STRUCTURES (1997) (26)
- Preparation of (+)-chlorofluoroiodomethane, determination of its enantiomeric excess and of its absolute configuration (2004) (25)
- Kramers-Kronig transformation of experimental electronic circular dichroism: application to the analysis of optical rotatory dispersion in dimethyl-L-tartrate. (2006) (25)
- Absolute Configuration of (-)-Centratherin, a Sesquiterpenoid Lactone, Defined by Means of Chiroptical Spectroscopy. (2015) (25)
- Ab Initio Predictions of Anomalous Optical Rotatory Dispersion (1999) (25)
- Absolute configuration of C76 from optical rotatory dispersion. (2005) (25)
- Vibrational optical activity in trans-2,3-dimethyloxirane (1990) (25)
- VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 5. CARBON-HYDROGEN, STRETCHING VIBRATIONAL CIRCULAR DICHROISM AND FIXED PARTIAL CHARGE CALCULATIONS FOR DEUTERATED ISOTOPOMERS OF ALANINE (1982) (25)
- Absolute configurations of chiral molecules with multiple stereogenic centers without prior knowledge of the relative configurations: A case study of inuloxin C. (2018) (24)
- Vibrational optical activity: Comparison of theoretical and experimental results for (+)‐(3R)‐methylcyclohexanone (1980) (24)
- Localized molecular orbital calculations of vibrational circular dichroism. I. General theoretical formalism and CNDO results for the carbon–deuterium stretching vibration in neopentyl‐1‐d‐chloride (1981) (24)
- Determination of absolute configurations and predominant conformations of general inhalation anesthetics: desflurane. (1993) (24)
- Vibrational circular dichroism of carbohydrate films formed from aqueous solutions. (2004) (24)
- VIBRATIONAL CIRCULAR DICHROISM IN AMINO ACIDS AND PEPTIDES. 6. LOCALIZED MOLECULAR ORBITAL CALCULATIONS OF THE CARBON-HYDROGEN STRETCHING VIBRATIONAL CIRCULAR DICHROISM IN DEUTERATED ISOTOPOMERS OF ALANINE (1982) (23)
- Structural determinations using vibrational Raman optical activity: from a single peptide group to β-turns (1994) (23)
- The structure of antimicrobial pexiganan peptide in solution probed by Fourier transform infrared absorption, vibrational circular dichroism, and electronic circular dichroism spectroscopy (2005) (22)
- Resolution of enantiomers in solution and determination of the chirality of extended metal atom chains. (2007) (22)
- Determination of the Absolute Configurations of Chiral Drugs Using Chiroptical Spectroscopy (2016) (22)
- The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra (2015) (22)
- AB INITIO THEORETICAL FREQUENCIES AND INTENSITIES IN THE INTERPRETATION OF INFRARED SPECTRA (1984) (22)
- Absolute configurations, predominant conformations, and tautomeric structures of enantiomeric tert-butylphenylphosphinothioic acid. (2000) (22)
- Conformational sensitivity of chiroptical spectroscopic methods: 6,6'-dibromo-1,1'-bi-2-naphthol. (2009) (22)
- Vibrational Raman optical activity in (R)-(+)-3-methylcyclopentanone: experimental and ab initio theoretical studies (1993) (22)
- Vibrational circular dichroism in (S)-(−)-epoxypropane. Measurement in vapor phase and verification of the perturbed degenerate mode theory (1983) (21)
- Vibrational optical activity for structural characterization of natural products. (2020) (21)
- Vibrational Circular Dichroism, Absolute Configuration, and Predominant Conformations of Volatile Anesthetics: Desflurane (1999) (21)
- Fourier transform infrared vibrational circular dichroism of matrix-isolated molecules (1986) (20)
- Absolute configuration, predominant conformations, and vibrational circular dichroism spectra of enantiomers of n-butyl tert-butyl sulfoxide. (2001) (20)
- Temperature Influence on the Secondary Structure of Avidin and Avidin−Biotin Complex: A Vibrational Circular Dichroism Study (2001) (20)
- Effective enantiodifferentiation of spirochalcogenuranes by the dirhodium method: towards the determination of absolute configurations? (2005) (20)
- Absolute configurations of chiral herbicides determined from vibrational circular dichroism. (2005) (20)
- Fourier-transform infrared, vibrational circular dichroism of sugars. A spectra-structure correlation. (1984) (20)
- Structures of intact glycoproteins from vibrational circular dichroism (2006) (20)
- Vibrational Raman optical activity of alanine as a function of pH (1992) (20)
- Vibrational circular dichroism of gramicidin D in vesicles and micelles. (2001) (20)
- Configurationally Stable Chiral Dithia-Bridged Hetero[4]helicene Radical Cation: Electronic Structure and Absolute Configuration. (2017) (20)
- Chiroptical spectroscopy of natural products: avoiding the aggregation effects of chiral carboxylic acids. (2012) (19)
- Circular Dichroism Measurements down to 600 cm−1 (1984) (19)
- The importance of large-amplitude motions for the interpretation of mid-infrared vibrational absorption and circular dichroism spectra: 6,6'-dibromo-[1,1'-binaphthalene]-2,2'-diol in dimethyl sulfoxide. (2014) (19)
- Peyssonnosides A–B, Unusual Diterpene Glycosides with a Sterically Encumbered Cyclopropane Motif: Structure Elucidation Using an Integrated Spectroscopic and Computational Workflow (2019) (19)
- Determination of the absolute configurations using electronic and vibrational circular dichroism measurements and quantum chemical calculations (2011) (19)
- Absolute configuration of tert-butyl-1-(2-methylnaphthyl)phosphine oxide. (2002) (19)
- Synthesis, experimental and ab initio theoretical vibrational circular dichroism, and absolute configurations of substituted oxiranes (1992) (19)
- FMOC-amino acid surfactants: discovery, characterization and chiroptical spectroscopy. (2012) (19)
- Raman optical activity in ring deformations of methyloxirane, methylthiirane and trans-2,3-dimethyloxirane (1988) (19)
- Vibrational Circular Dichroism of Matrix-Assisted Amino Acid Films in the Mid-Infrared Region (2006) (19)
- Vibrational optical activity of anharmonic oscillator (1996) (18)
- Isotope-assisted vibrational circular dichroism investigations of amyloid β peptide fragment, Aβ(16-22). (2011) (18)
- Absolute Configuration and Conformational Stability of (S)-(+)-3-(2-Methylbutyl)thiophene and (+)-3,4-Di[(S)-2-methylbutyl)]thiophene and Their Polymers (2002) (18)
- New Design for Fourier Transform Infrared Vibrational Circular Dichroism Spectrometers (1994) (18)
- One-pot morphogen driven self-constructing films based on non-covalent host–guest interactions (2012) (18)
- Far-infrared circular dichroism measurements with Martin-Puplett interferometer: methods and analysis (1988) (18)
- Polarized Raman optical activity in methyl antisymmetric deformations: Influence of heteroatom Rydberg orbitals (1989) (17)
- Quadruplex structure of polyriboinosinic acid: dependence on alkali metal ion concentration, pH and temperature. (2008) (17)
- Optical activity due to isotopic substitution. Vibrational circular dichroism and the absolute configurations of .alpha.-deuterated cyclohexanones (1981) (17)
- Absolute configuration of 3,3'-diphenyl-[2,2'-binaphthalene]-1,1'-diol revisited. (2009) (17)
- Assignment and stereocontrol of hibarimicin atropoisomers. (2011) (17)
- Vibrational Circular Dichroism, Predominant Conformations, and Hydrogen Bonding in (S)-(−)-3-Butyn-2-ol (2000) (17)
- Enantiopure stereoisomeric homologues of glutamic acid: chemoenzymatic synthesis and assignment of their absolute configurations (2004) (17)
- Vibrational optical activity in para-substituted 1-methylcyclohex-1-enes (1980) (17)
- Fourier-transform infrared vibrational circular dichroism of simple carbohydrates (1988) (17)
- Development, Justification, and Applications of a Mid-Infrared Polarization-Division Interferometer (1994) (17)
- Predominant Conformations of (2R,3R)-(−)-2,3-Butanediol (2001) (16)
- Infrared investigations of sucrose in aqueous solutions (1985) (16)
- Vibrational Raman optical activity in (R)-(+)-3-methylcyclohexanone : experimental and ab initio theoretical studies and the origins of the unusual couplets (1993) (16)
- VIBRATIONAL CIRCULAR DICHROISM OF MONOSACCHARIDES (1999) (16)
- To Avoid Chasing Incorrect Chemical Structures of Chiral Compounds: Raman Optical Activity and Vibrational Circular Dichroism Spectroscopies. (2017) (16)
- Measurement of Vibrational Circular Dichroism below ∼600 cm−1: Progress towards Meeting the Challenge (1996) (16)
- Compressible multi-scale magnetic constructs: decorating the outer surface of self-assembled microbubbles with iron oxide nanoparticles (2013) (16)
- Chiroptical spectroscopic determination of molecular structures of chiral sulfinamides: t-butanesulfinamide. (2007) (16)
- Rotational—vibrational circular dichroism (1989) (16)
- Chiroptical spectroscopy of surfactants. (2012) (16)
- Polarization-Division Interferometry: Time-Resolved Infrared Vibrational Dichroism Spectroscopy (1995) (16)
- Morphogen-driven self-construction of covalent films built from polyelectrolytes and homobifunctional spacers: buildup and pH response (2012) (16)
- Vibrational properties of the peptide group: achiral and chiral conformers of N-methylacetamide (1994) (16)
- ACETATE GROUPS AS PROBES OF THE STEREOCHEMISTRY OF CARBOHYDRATES: A VIBRATIONAL CIRCULAR DICHROISM STUDY (1999) (15)
- Vibrational spectra of methylthiirane (1987) (15)
- Conformational restriction of flexible molecules in solution by a semirigid bis-porphyrin molecular tweezer (2013) (15)
- Hollow magnetic microspheres obtained by nanoparticle adsorption on surfactant stabilized microbubbles. (2014) (15)
- Renaissance in Chiroptical Spectroscopic Methods for Molecular Structure Determination (2007) (15)
- Fourier transform Raman optical activity (1988) (15)
- Structural Analysis Using Chiroptical Spectroscopy: Insights and Cautions. (2016) (15)
- Vibrational circular dichroism, absolute configuration and predominant conformations of volatile anesthetics: enflurane (2000) (15)
- Quantum mechanical predictions of chiroptical vibrational properties (2006) (15)
- Resolution of tert-butyl-1-(2-methyinaphthyl)phosphine oxide using selectors identified from a chemical combinatorial library. (2002) (14)
- Solution and crystal structures of chiral molecules can be significantly different: tert-butylphenylphosphinoselenoic acid (2004) (14)
- Circular dichroism in the far infrared and millimetre wavelength regions: Preliminary measurements (1990) (14)
- Predicting near-UV electronic circular dichroism in nucleosomal DNA by means of DFT response theory. (2015) (14)
- A sum rule for vibrational circular dichroism intensities of fundamental transitions (1986) (14)
- Determination of the absolute stereochemistry of chiral biphenanthryls in solution phase using chiroptical spectroscopic methods: 2,2'-Diphenyl-[3,3'-biphenanthrene]-4,4'-diol. (2008) (14)
- Dissymmetry Factor Spectral Analysis Can Provide Useful Diastereomer Discrimination: Chiral Molecular Structure of an Analogue of (−)-Crispine A (2019) (14)
- Localized molecular orbital calculations of vibrational circular dichroism. II. CNDO formulation and results for the hydrogen stretching vibrations of (+)‐(3R)‐methylcyclohexanone (1981) (14)
- New Developments in Fourier Transform Infrared Vibrational Circular Dichroism Measurements (1989) (14)
- Polarization-Division Interferometry: Far-Infrared Dichroism (1994) (13)
- Enantiomerically pure compounds related to chiral hydroxy acids derived from renewable resources (2012) (13)
- A comparison of bond moment and charge flow models for vibrational circular dichroism intensities (1983) (13)
- Methyl torsion Raman optical activity in trans-2,3-dimethyloxirane and trans-2,3-dimethylthiirane (1992) (13)
- The quadruplex-duplex structural transition of polyriboguanylic acid. (2008) (13)
- Electric field perturbative calculations of vibrational intensities. II. Orbital polarizability model for Raman optical activity and simultaneous evaluation of Raman optical activity, Raman scattering, infrared circular dichroism, and infrared absorption intensities (1982) (13)
- 2 – FOURIER TRANSFORM INFRARED VIBRATIONAL CIRCULAR DICHROISM (1985) (13)
- Vibrational Circular Dichroism and Absolute Configuration of Substituted Thiiranes (1991) (13)
- Ab initio localized molecular orbital predictions of vibrational circular dichroism: Trans‐2,3‐dideuterooxirane (1990) (13)
- Why Is It Important to Simultaneously Use More than One Chiroptical Spectroscopic Method for Determining the Structures of Chiral Molecules (2008) (12)
- Absolute configuration and conformational analysis of a degradation product of inhalation anesthetic Sevoflurane: A vibrational circular dichroism study. (2002) (12)
- Mid infrared vibrational circular dichroism in (S-(-)-epoxypropane (1984) (12)
- Asymmetric Sequential Cu-Catalyzed 1,6/1,4-Conjugate Additions of Hard Nucleophiles to Cyclic Dienones: Determination of Absolute Configurations and Origins of Enantioselectivity. (2017) (12)
- Determination of the absolute configuration of chiral alpha-aryloxypropanoic acids using vibrational circular dichroism studies: 2-(2-chlorophenoxy) propanoic acid and 2-(3-chlorophenoxy) propanoic acid. (2005) (12)
- Solvation dependence observed in the electronic dissymmetry factor spectra: how much information are we missing by analyzing the circular dichroism spectra alone? (2016) (12)
- Specific Optical Rotations and the Horeau Effect. (2016) (12)
- Site-specific structure of Aβ(25-35) peptide: isotope-assisted vibrational circular dichroism study. (2013) (11)
- Spectroscopic investigation of Ginkgo biloba terpene trilactones and their interaction with amyloid peptide Abeta(25-35). (2008) (11)
- Diastereomers of N-alpha-phenylethyl-t-butylsulfinamide: absolute configurations and predominant conformations. (2008) (11)
- Sum rules for Cartesian polarizability derivative tensors (1990) (11)
- Modulation and binding properties of extended glycoluril molecular clips (2008) (11)
- Concentration- and dehydration-dependent structural transitions in poly-l-lysine (2008) (11)
- Conformational Analysis of (S)-(+)-1-Bromo-2-methylbutane and the Influence of Bromine on Conformational Stability (2002) (11)
- Determination of absolute configurations from vibrational raman optical activity: (trans)-2,3-dimethylthiirane. (1993) (11)
- Vibrational circular dichroism, absolute configuration and predominant conformations of volatile anesthetics: 1,2,2,2-tetrafluoroethyl methyl ether (1999) (11)
- Vibrational Circular Dichroism Is an Incisive Structural Probe: Ion-Induced Structural Changes in Gramicidin D (1999) (10)
- Identification of the characteristic, anomeric bands in the infrared spectrum of lyxose in aqueous solution. (1984) (10)
- Counter observations on the practice of scaling individual ab initio force constants: Vibrational spectra of methylthiirane (1988) (10)
- Vibrational assignments and isomerization rate-constants from time-dependent F.t.-i.r. spectra of sugars. (1987) (10)
- Vibrational Raman optical activity of bicyclic terpenes: comparison between experimental and calculated vibrational Raman, Raman optical activity, and dimensionless circular intensity difference spectra and their similarity analysis (2017) (10)
- Unprecedented relationship between the size of spherical chiral micellar aggregates and their specific optical rotations. (2013) (10)
- Vibrational circular dichroism of gramicidin D in organic solvents (1999) (10)
- An approximate relation for paramagnetic magnetizability emerging from the sum rules for Cartesian magnetic dipole moment derivatives (1990) (10)
- Determination of molecular stereochemistry using optical rotatory dispersion, vibrational circular dichroism and vibrational Raman optical activity (2006) (10)
- Spectroscopic rationalization of the separation abilities of decaproline chiral selector in dichloromethane-isopropanol solvent mixture. (2007) (10)
- Free-electron lasers and semiconductor physics: first results on nonlinear optics, interfaces, and desorption (1994) (10)
- Comparative Evaluation of Vibrational Circular Dichroism and Optical Rotation for Determination of Enantiomeric Purity (2001) (10)
- Comparison of mid-infrared Fourier transform vibrational circular dichroism measurements with single and dual polarization modulations. (2011) (10)
- Conformational analysis of melittin in solution phase: vibrational circular dichroism study. (2003) (9)
- Polarization-Division Interferometry: Approach for Biomedical Infrared Imaging (1994) (9)
- Circular dichroism spectra of regioregular poly[3 [(S)-2-methylbutyl]-thiophene] and of poly[3,4-di[(S)-2-methylbutyl]-thiophene]. (2002) (8)
- First Room Temperature Chiral Anionic Liquid Forming Micelles and Reverse Micelles. (2017) (8)
- Vibrational circular dichroism and absolute configuration of 1-substituted indans (1988) (8)
- Chiral sulfur‐containing structures: Selected synthetic and structural aspects (2007) (8)
- Effect of D-amino acids at Asp23 and Ser26 residues on the conformational preference of Abeta20-29 peptides. (2005) (8)
- How important are the intermolecular hydrogen bonding interactions in methanol solvent for interpreting the chiroptical properties? (2020) (8)
- Unusual structural transition of antimicrobial VP1 peptide. (2011) (7)
- Comment on a sum rule for vibrational raman optical activity (1986) (7)
- Comparison of Experimental and Calculated Chiroptical Spectra for Chiral Molecular Structure Determination (2015) (7)
- Vibrational circular dichroism in methylthiirane : ab inition localized molecular orbital predictions and experimental measurements (1991) (7)
- Concentration Dependent Specific Rotations of Chiral Surfactants: Experimental and Computational Studies. (2016) (7)
- Vibrational circular dichroism of .alpha.-phenylethylamine (1984) (7)
- Ab initio localized molecular orbital predictions of vibrational circular dichroism : trans-1,2-dideuteriocyclopropane (1991) (7)
- Wavelength resolved specific optical rotations and homochiral equilibria. (2015) (7)
- Absolute configuration and conformational stability of (+)-2,5-dimethylthiolane and (-)-2,5-dimethylsulfolane. (2001) (7)
- Free‐electron laser spectroscopy of semiconductors and interfaces (1994) (7)
- Optical Rotation: Recent Advances in Determining the Absolute Configuration (2003) (7)
- Super-elastic air/water interfacial films self-assembled from soluble surfactants. (2014) (7)
- pH-controlled microbubble shell formation and stabilization. (2014) (7)
- Structural transitions in polyribocytidylic acid induced by changes in pH and temperature: vibrational circular dichroism study in solution and film states. (2006) (6)
- Enhanced silver ion binding to a rigid bisarene molecular cleft with formation of nonpolar pleated sheets through non-ionic intermolecular forces. (2007) (6)
- Corrigendum to “The connection between robustness angles and dissymmetry factors in vibrational circular dichroism spectra” [Chem. Phys. Lett. 639 (2015) 320–325] (2016) (6)
- Reply Ab initio vibrational raman spectra of small ring molecules: Examples that warrant reevaluation of a scaling theme (1989) (6)
- Molecular structural transformations induced by spatial confinement in barium fluoride cells. (2013) (6)
- Ab initio Raman spectra of oxirane (1989) (6)
- Polarization-Division Interferometry: An Approach to Birefringence Measurements (1994) (6)
- Chiral Molecular Structures of Substituted Indans: Ring Puckering, Rotatable Substituents, and Vibrational Circular Dichroism (2019) (5)
- Absolute Configuration of Isoflurane. (1993) (5)
- Characterization of folded conformations in a tetrapeptide containing two tryptophan residues by vibrational circular dichroism. (2009) (5)
- Principles and applications of polarization-division interferometry (1998) (5)
- Specific optical rotation is a versatile tool for the identification of critical micelle concentration and micellar growth of tartaric acid-based diastereomeric amphiphiles. (2017) (5)
- Absolute Configurations of Naturally Occurring [5]- and [3]-Ladderanoic Acids: Isolation, Chiroptical Spectroscopy, and Crystallography. (2018) (5)
- Natural Product-Derived Chiral Pyrrolidine-2,5-diones, Their Molecular Structures and Conversion to Pharmacologically Important Skeletons. (2020) (5)
- Perfluoroalkylated poly(oxyethylene) thiols: Synthesis, adsorption dynamics and surface activity at the air/water interface, and bubble stabilization behaviour (2015) (5)
- A frequency weighted sum rule for vibrational circular dichroism intensities (1987) (5)
- Polarization-Division Beamsplitters with KBr and KRS-5 Substrates for Fourier Transform Infrared Spectroscopy (1996) (5)
- Absolute configuration of an axially chiral sulfonate determined from its optical rotatory dispersion, electronic circular dichroism, and vibrational circular dichroism spectra. (2017) (5)
- Methine and methyl stretching vibrations in substituted phenylethanes (1988) (5)
- Calculated rotational strengths and dissymmetry factors for rotational transitions of the chiral deuterated oxiranes, methyl- and dimethyl-oxirane, and methylthiirane (1991) (5)
- Vibrational circular dichroism of A2B2 molecules (1986) (5)
- A Design of Raman Spectrograph for Optical Activity and Normal Raman Measurements (1983) (5)
- CNDO Force constants for glucose (1987) (4)
- Double Polarization Modulation Interferometry (1997) (4)
- Vibrational Circular Dichroism of beta-Hairpin Peptides (2000) (4)
- Fourier Transform Raman spectroscopy with polarization modulation (1990) (4)
- Vibrational Optical Activity (1985) (4)
- Special issue "advances in chiroptical methods". (2009) (4)
- Incorporation of negatively charged iron oxide nanoparticles in the shell of anionic surfactant-stabilized microbubbles: The effect of NaCl concentration. (2016) (4)
- THIONO COMPOUNDS. 9. USE OF SPECTRA TO STUDY INTERMEDIATES IN THE OXIDATION OF THIONO PHOSPHORUS, COMPOUNDS (1988) (3)
- Differential Polarized Reflectance Spectroscopy at Air/Water and Air/Metal Interfaces (1996) (3)
- VIBRATIONAL OPTICAL ACTIVITY: COMPARISON OF THEORETICAL AND EXPERIMENTAL RESULTS FOR (+)-(3R)-METHYLCYCLOHEXANONE (1980) (3)
- The dipole moment derivatives and charge flux parameters from vibrational absorption intensities of ethylene oxide (1985) (3)
- Achromatic Long Wavelength Polarization Modulator (1990) (3)
- Absorption and circular dichroism due to bending vibrations of A2B2 molecules with C2 symmetry (1987) (3)
- A frequency-weighted sum rule for vibrational Raman optical activity (1987) (3)
- Conformations of Tartaric Acid and Its Esters. (1988) (3)
- Structure of A beta(25-35) peptide in different environments. (2004) (3)
- Absolute Configuration and Conformation of (−)-R-t-Butylphenylphosphinoamidate: Chiroptical Spectroscopy and X-ray Analysis (2020) (2)
- Vibrational circular dichroism spectra of chirally substituted polythiophenes (2001) (2)
- Specific optical rotation for the identification of the locus of solubilization of chiral molecules in achiral micelles (2018) (2)
- Circular dichroism of the benzene group vibrations and molecular stereochemistry (1990) (2)
- Origin of the unusual infrared absorption band at .apprx.1600 cm-1 in 1,4-dioxaspiro[2.2]pentanes (1992) (2)
- VIBRATIONAL CIRCULAR DICHROISM IN (S)-(-)-EPOXYPROPANE. MEASUREMENT IN VAPOR PHASE AND VERIFICATION OF THE PERTURBED DEGENERATE MODE THEORY (1983) (2)
- Synthesis, experimental, and ab initio theoretical vibrational circular dichroisn, and absolute configurations of substituted oxiranes. [Erratum to document cited in CA117:89644] (1994) (2)
- An efficient molecular orbital approach for a simultaneous evaluation of the vibrational circular dichroism and absorption intensities (1981) (2)
- Optical purity, enantiomeric excess and the Horeau effect. (2020) (2)
- Enhancement of the chiroptical response of α-amino acids via N-substitution for molecular structure determination using vibrational circular dichroism. (2020) (2)
- Vibrational Raman optical activity of camphor: The importance of electric‐dipole—electric‐quadrupole polarizability contribution (2020) (2)
- Atomic Raman tensors and intensity sum rule (1982) (2)
- Chiral Molecular Structure Determination for a Desired Compound Just from Its Molecular Formula and Vibrational Optical Activity Spectra. (2021) (2)
- Vibrational Circular Dichroism of Phenylcarbinols. A Configurational Correlation. (1986) (1)
- Infrared intensities: charge flux parameters for fluorine and their transferability (1984) (1)
- An efficient molecular orbital approach for a simultaneous evaluation of the vibrational circular dichroism and absorption intensities, Chem.Phys.Letters 84(1981)587. (1982) (1)
- Synthesis, Experimental and ab initio Theoretical Vibrational Circular Dichroism, and Absolute Configurations of Substituted Oxiranes. (1992) (1)
- Absolute configuration of seco-eudesmanolide inuloxin D from experimental and predicted chiroptical studies of its 4-O-acetyl derivative. (2021) (1)
- Vibrational absorption and circular dichroism in 2,3-d2-oxirane. Interpretation of the observed intensities (1988) (1)
- VIBRATIONAL CIRCULAR DICHROISM OF α-PHENYLETHYLAMINE (1984) (1)
- (+)-1-[(R)-3,3,3-Trifluoro-2-methoxy-2-phenylpropionyl]-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine methanol solvate (2006) (1)
- Determination of absolute configurations from vibrational circular dichroism: (+)-2-methylthiirane-3,3-d(2). (1993) (1)
- Tests of an approximate formula for the paramagnetic magnetizability (1991) (1)
- (R)-Metacycloprodigiosin-HCl: Chiroptical properties and structure. (2018) (1)
- Applications of Chiroptical Spectra (2016) (1)
- Additions and Corrections - Ab Initio Theoretical Frequencies and Intensities in the Interpretation of Infrared Spectra (1984) (1)
- CIRCULAR DICHROISM IN THE FAR INFRARED AND MILLIMETER WAVELENGTH RANGE: NEW TECHNIQUES (1988) (1)
- FOURIER TRANSFORM INFRARED VIBRATIONAL CIRCULAR DICHROISM OF SUGARS AND NUCLEIC ACIDS (1984) (0)
- VIBRATIONAL CICULAR DICHROISM OF METHYL AND ETHYL LACTATES (1991) (0)
- FOURIER TRANSFORM INFRARED ABSORPTION AND CIRCULAR DICHROISM OF CARBOHYDRATES (1983) (0)
- Chiroptical spectroscopic studies for the absolute configuration determination of hexahydrocurcumin and octahydrocurcumin. (2022) (0)
- EQUIVALENCE OF THE SEMICLASSICAL MODELS FOR VIBRATIONAL CIRCULAR DICHROISM (1985) (0)
- Circular Dichroism of the Benzene Group Vibrations and Molecular Stereochemistry. (1990) (0)
- Development and Evaluation of a Polarization-Division Interferometer with Cube Corner Mirrors (2002) (0)
- EXPERIMENTAL AND AB INITIO THEORETICAL VIBRATIONAL CIRCULAR DICHROISM OF SUBSTITUTED OXIRANES (1991) (0)
- Investigating The Connectivity Between Atoms In Chiral Molecules (2017) (0)
- NEW DEVELOPMENTS IN RAMAN OPTICAL ACTIVITY (1988) (0)
- Quantum Chemical Formulation of Chiroptical Spectroscopy (2016) (0)
- Special issue of Chirality: 14th International Conference on Chiroptical Spectroscopy (CD2013). (2014) (0)
- Ab initio Localized MO Predictions of Vibrational Circular Dichroism: trans‐1,2‐Dideuteriocyclopropane. (1991) (0)
- FIXED PARTIAL CHARGE CALCULATIONS OF VIBRATIONAL CIRCULAR DICHROISM IN ALANINE AND DEUTERATED ISOTOPOMERS (1981) (0)
- Prediction of Chiroptical Spectra (2016) (0)
- Vibrational Raman Optical Activity in (R)-(+)-3-Methylcyclohexanone: Experimental and ab initio Theoretical Studies and the Origins of the Unusual Couplets. (1993) (0)
- Protocols for the Analysis of Theoretical Optical Rotations (2006) (0)
- Ab initio theoretical and experimental vibrational Raman optical activity in methyl and trans-dimethyl oxiranes (1992) (0)
- Studies of organic electrodes for LCDs (2002) (0)
- Comparison of Experimental and Calculated Spectra (2016) (0)
- Buckyball in the Clip: A Molecular Tweezer That Binds Fullerenes. (2007) (0)
- A Porphyrin Terminated Molecular Tweezer for Conformational Restriction of Flexible Molecules in Solution. (2007) (0)
- Experimental Methods for Measuring Chiroptical Spectra (2016) (0)
- Vibrational Circular Dichroism in Methylthiirane: Ab inito Localized MO Predictions and Experimental Measurements. (1991) (0)
- Chiral force constants: Recommendations for the presentation of internal coordinate force constants (1993) (0)
- Polarized Raman optical activity (1988) (0)
- Ab initio Localized Molecular Orbital Predictions of Vibrational Circular Dichroism: trans-2,3-Dideuterooxirane. (2010) (0)
- Chemical Synthesis of [2H]-Ethyl Tosylate and Exploration of Its Crypto-optically Active Character Combining Complementary Spectroscopic Tools. (2020) (0)
- A LOCAL MODE THEORY FOR VIBRATIONAL ABSORPTION AND CIRCULAR DICHROISM (1986) (0)
- ON THE CIRCULAR DICHROISM MEASUREMENTS IN THE 800-600 cm-1 RANGE (1988) (0)
- Chiroptical Spectroscopic Studies on Soft Aggregates and Their Interactions (2018) (0)
- VIBRATIONAL CIRCULAR DICHROISM OF TARTARIC ACID ESTERS. CONFIGURATIONAL CORRELATION AND UNIQUE SENSITIVITY TO HYDROGEN BONDING EFFECTS (1986) (0)
- Polarization Interferometers for Infrared Spectrometry (2006) (0)
- Vibrational Raman optical activity of diacetyl L‐tartaric acid and corresponding surfactants: Sodium salts and shorter analogs of surfactants simplify the interpretations (2022) (0)
- CCDC 1552002: Experimental Crystal Structure Determination (2018) (0)
- Interaction of Circularly Polarized Light with Chiral Molecules (2016) (0)
- VIBRATIONAL OPTICAL ACTIVITY IN PERTURBED DEGENERATE MODES: CONCEPTS AND MODEL CALCULATIONS IN 1-SUBSTITUTED HALOETHANES (1981) (0)
- Conformational Study of Gramicidin D in Organic Solvents in the Presence of Cations Using Vibrational Circular Dichroism. (2002) (0)
- Absolute Configuration of 3 , 3 0-Diphenyl-[ 2 , 2 0-binaphthalene ]-1 , 1 0-diol Revisited (2009) (0)
- VIBRATIONAL CIRCULAR DICHROISM MEASUREMENTS IN THE FAR INFRARED REGION: STATUS REPORT (1991) (0)
- POLARIZATION DIVISION INTERFEROMETRY (1995) (0)
- AB INITIO VIBRATIONAL PROPERTIES OF LARGE OPTICALLY ACTIVE MOLECULES: GLUCOSE ET AL (1988) (0)
- Chiral Aggregation, Equilibria, and the Horeau Effect (2016) (0)
- VIBRATIONAL ABSORPTION AND CIRCULAR DICHROISM STUDIES ON CARBOHYDRATES (1986) (0)
- AB INITIO MOLECULAR OPTICAL ROTATIONS (1997) (0)
- VIBRATIONAL RAMAN OPTICAL ACTIVITY IN (R)-(+)-3-METHYL CYCLOPENTANONE. (1993) (0)
- Temperature Dependent Electronic and Vibrational Circular Dichroism of Carvone and Limonene (2006) (0)
- Synthesis, characterization and absolute configurations of methyl ladderanoates. (2022) (0)
- LOCALIZED MO CALCULATIONS OF VIBRATIONAL CIRCULAR DICHROISM. PART 1. GENERAL THEORETICAL FORMALISM AND CNDO RESULTS FOR THE CARBON-DEUTERIUM STRETCHING VIBRATION IN NEOPENTYL-1-D-CHLORIDE. PART 2. CNDO FORMULATION AND RESULTS FOR THE (1981) (0)
- Chiral explosives: A theoretical investigation of structure and chiroptical properties of triacetone triperoxide and hexamethylene triperoxide diamine. (2023) (0)
- LOCALIZED MOLECULAR ORBITAL CALCULATIONS OF VIBRATIONAL CIRCULAR DICHROISM IN ALANINE AND DEUTERATED ISOTOPOMERS (1981) (0)
- CORIOLIS CONTRIBUTIONS TO VIBRATIONAL CIRCULAR DICHROISM (1981) (0)
- ORBITAL POLARIZABILITY MODEL FOR RAMAN OPTICAL ACTIVITY AND ELECTRIC FIELD PERTURBATIVE CALCULATIONS OF VIBRATIONAL OPTICAL ACTIVITY INTENSITIES (1982) (0)
- VIBRATIONAL CIRCULAR DICHROISM IN TARTARIC ACID ESTERS (1985) (0)
- SOME ASPECTS OF THE CIRCULAR DICHROISM MEASUREMENTS ON FOURIER TRANSFORM INFRARED (FTIR) SPECTROMETERS (1983) (0)
- POLARIZATION DIVISION INTERFEROMETRY: TIME RESOLVED INFRARED DICHROISM (1994) (0)
- Absolute configuration of a [1]rotaxane determined from vibrational and electronic circular dichroism spectra. (2021) (0)
- Fourier Transform IR Vibrational Circular Dichroism of Matrix-Isolated Molecules. (1987) (0)
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