Norman Allinger
#16,715
Most Influential Person Now
American computational chemist and academic
Norman Allinger's AcademicInfluence.com Rankings
Norman Allingerchemistry Degrees
Chemistry
#170
World Rank
#369
Historical Rank
#89
USA Rank
Computational Chemistry
#2
World Rank
#2
Historical Rank
#2
USA Rank
Download Badge
Chemistry
Why Is Norman Allinger Influential?
(Suggest an Edit or Addition)According to Wikipedia, Norman "Lou" Allinger was an American organic and computational chemist and Distinguished Research Professor Emeritus of Chemistry at the University of Georgia in Athens. Lou Allinger was the elder of two children of Norman Clark Allinger and Florence Helen . He was born in Alameda, California.
Norman Allinger'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
- Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms (1977) (3086)
- Molecular mechanics. The MM3 force field for hydrocarbons. 1 (1989) (2298)
- Conformational analysis—CI (1974) (930)
- Molecular mechanics. The MM3 force field for hydrocarbons. 3. The van der Waals' potentials and crystal data for aliphatic and aromatic hydrocarbons (1989) (788)
- Encyclopedia of computational chemistry (1998) (738)
- Molecular mechanics. The MM3 force field for hydrocarbons. 2. Vibrational frequencies and thermodynamics (1989) (528)
- Calculation of Molecular Structure and Energy by Force-Field Methods (1976) (423)
- Conformational analysis. LXIX. Improved force field for the calculation of the structures and energies of hydrocarbons (1971) (319)
- An improved force field (MM4) for saturated hydrocarbons (1996) (284)
- A Molecular Mechanics Force Field (MM3) for Alcohols and Ethers (1990) (279)
- Molecular mechanics parameters (1994) (271)
- Conformational analysis. XC. Calculation of the structures of hydrocarbons containing delocalized electronic systems by the molecular mechanics method (1973) (257)
- Conformational analysis. LXXXIV. Study of the structures and energies of some alkenes and cycloalkenes by the force field method (1972) (248)
- Conformational analysis. LX. Improved calculations of the structures and energies of hydrocarbons by the Westheimer method (1968) (215)
- The MM3 force field for amides, polypeptides and proteins (1991) (189)
- The MMP2 calculational method (1987) (187)
- Molecular mechanics (MM3) calculations on conjugated hydrocarbons (1990) (182)
- Macro Rings. VII. The Spectral Consequences of Bringing Two Benzene Rings Face to Face1 (1954) (148)
- Molecular Mechanics Calculations on Aliphatic Amines (1985) (143)
- Macro Rings. XII. Stereochemical Consequences of Steric Compression in the Smallest Paracyclophane1 (1955) (136)
- Conformational analysis. LVII. The calculation of the conformational structures of hydrocarbons by the Westheimer-Hendrickson-Wiberg method (1967) (133)
- The torsional conformations of butane: Definitive energetics from ab initio methods (1997) (130)
- Conformational analysis. CIV. Structures, energies, and electronic absorption spectra of the [n]paracyclophanes (1974) (124)
- Molecular mechanics. The MM3 force field for alkenes (1990) (124)
- Conformational Analysis. IX. The Gem-Dimethyl Effect1,2 (1960) (120)
- Conformational analysis. 122. Heats of formation of conjugated hydrocarbons by the force field method (1977) (117)
- Conformational analysis—LXXIX (1972) (114)
- An improved structure of trans-stilbene (1974) (106)
- Importance of selecting proper basis set in quantum mechanical studies of potential energy surfaces of carbohydrates (1999) (105)
- Conformational analysis. LXV. Calculation by the Westheimer method of the structures and energies of a variety of organic molecules containing nitrogen, oxygen, and halogen (1969) (104)
- Macro Rings. XIII. Synthesis and Properties of 1,7-Cyclododecadiyne and Related Compounds1 (1956) (102)
- Hydrogen bonding in MM2 (1988) (102)
- Treatment of electrostatic effects within the molecular-mechanics method. 1 (1983) (97)
- Directional hydrogen bonding in the MM3 force field: II (1998) (96)
- Isotope effects in molecular mechanics (MM2). Calculations deuterium compounds (1983) (95)
- A molecular mechanics treatment of the anomeric effect (1984) (88)
- Systematic Comparison of Experimental, Quantum Mechanical, and Molecular Mechanical Bond Lengths for Organic Molecules (1996) (88)
- Conformational analysis. LXIV. Calculation of the structures and energies of unsaturated hydrocarbons by the Westheimer method (1968) (87)
- Exceptional reactivity of the bicyclo[2.2.1]heptene double bond (1980) (84)
- On the stability of large [4n]annulenes. (2003) (80)
- Molecular mechanics (MM4) calculations on conjugated hydrocarbons (1996) (79)
- Molecular mechanics (MM3) studies of carboxylic acids and esters (1992) (79)
- Conformational analysis. 118. Application of the molecular-mechanics method to alcohols and ethers (1976) (74)
- Molecular mechanics (MM4) calculations on alkenes (1996) (74)
- Structural studies of cannabinoids. A theoretical and proton magnetic resonance analysis. (1970) (73)
- Benzene, aromatic rings, van der Waals molecules, and crystals of aromatic molecules in molecular mechanics (MM3) (1987) (72)
- Conformational Analysis. III. Applications to Some Medium Ring Compounds1,2 (1959) (71)
- Theoretical Studies of the Potential Energy Surfaces and Compositions of the d-Aldo- and d-Ketohexoses (1998) (70)
- Structures of norbornane and dodecahedrane by molecular mechanics calculations (MM3), x-ray crystallography, and electron diffraction (1989) (70)
- The conformers of 2-bromocyclohexanone (1958) (69)
- Conformational analysis—LXXXIII (1972) (69)
- Directional hydrogen bonding in the MM3 force field. I (1994) (68)
- MOLECULAR MECHANICS (MM3) CALCULATIONS ON ALDEHYDES AND KETONES (1991) (67)
- CONFORMATIONAL ANALYSIS. X. THE ENERGY OF THE BOAT FORM OF THE CYCLOHEXANE RING1,2 (1960) (67)
- Molecular Structure: Understanding Steric and Electronic Effects from Molecular Mechanics (2010) (67)
- Conformational analysis—CXXIII: Carboxylic acids and esters in force field calculations (1977) (64)
- Molecular mechanics (MM2) calculations on peptides and on the protein Crambin using the CYBER 205 (1989) (64)
- Conformational Analysis. XVII.1 The 1,3-Diaxial Methyl-Methyl Interaction2 (1961) (63)
- Pitfalls in the use of the torsion angle driving method for the calculation of conformational interconversions (1982) (63)
- CONFORMATIONAL ANALYSIS. CXI. THE CALCULATION OF THE STRUCTURES AND ENERGIES OF DISULFIDES BY THE MOLECULAR MECHANICS METHOD (1976) (62)
- Conformational analysis. CVIII. Calculation of the structures and energies of alkanethiols and thiaalkanes by the molecular mechanics method (1975) (62)
- Conformational Analysis. XLII. Experimental Approaches to the Problem of the Size of the Lone Pair on Nitrogen1,2 (1965) (61)
- Molecular polarizabilities and induced dipole moments in molecular mechanics (2000) (61)
- Molecular mechanics (MM4) vibrational frequency calculations for alkenes and conjugated hydrocarbons (1996) (60)
- Synthesis, structure, and properties of the [7]paracyclophane ring system (1974) (60)
- Some Chemistry of [2.2]Metacyclophane. A Transannular Electrophilic Aromatic Substitution Reaction1 (1961) (58)
- Conformational analysis. XCIV. [8]Paracyclophane ring system. Structure and spectroscopic properties of 4-carboxy[8]paracyclophane (1973) (58)
- The electronic spectra of unsaturated hydrocarbons a VESCF-CI treatment (1967) (57)
- Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation (1979) (56)
- Molecular mechanics calculations on conjugated nitrogen-containing heterocycles (1988) (56)
- An Improved Molecular Mechanics Force Field for Alcohols and Ethers (1980) (56)
- Molecular Mechanics (MM3). Calculations on Nitrogen-Containing Aromatic Heterocycles (1993) (55)
- Alcohols, ethers, carbohydrates, and related compounds. I. The MM4 force field for simple compounds (2003) (55)
- The syn rotational barrier in butane (1990) (54)
- Conformational analysis. LXXVIII. The conformation of phenylcyclohexane, and related molecules.☆☆☆ (1971) (54)
- A Molecular Mechanics Study of Cyclopropanes Within the MM2 and MM3 Force Fields (1992) (53)
- Organic Quantum Chemistry. IX. The Ultraviolet Spectra of Unsaturated Hydrocarbons. Woodward's Rules1,2 (1965) (53)
- Alcohols, ethers, carbohydrates, and related compounds. IV. carbohydrates (2003) (53)
- Hyperconjugative effects on carbon—Carbon bond lengths in molecular mechanics (MM4) (1996) (52)
- Molecular Mechanics (MM3). Calculations of Furan, Vinyl Ethers, and Related Compounds (1993) (52)
- Conformational Analysis. XI. The Conformers of 2-Chlorocyclohexanone1,3 (1960) (51)
- Conformational analysis. CXII. Conformations, energies, and electronic absorption spectra of .alpha.,.beta.-unsaturated aldehydes and ketones (1976) (50)
- Organic quantum chemistry. XXXIII. Electronic spectra and rotational barriers of vinylborane, allyl cation, and related compounds (1975) (50)
- Conformational analysis—132: The effects of electrostatic interactions and solvation energies on conformational equilibria in dihalides and haloketonesTetrahedron 34, 627, 1978. (1978) (48)
- Toward a Better Understanding of Covalent Bonds: The Molecular Mechanics Calculation of C-H Bond Lengths and Stretching Frequencies (1994) (48)
- Conformational analysis—CVI: On the 1,5-cyclooctadiene ring (1975) (47)
- Conformational Analysis. LI. The Conformations of Cyclohexanone Rings in Simple Molecules1-3 (1966) (47)
- Molecular Mechanics Explanation of the Metallocene Bent Sandwich Structure (1995) (46)
- Organic Quantum Chemistry. VII. Calculation of the Near-Ultraviolet Spectra of Polyolefins (1964) (46)
- Alcohols, ethers, carbohydrates, and related compounds. II. The anomeric effect (2003) (44)
- Molecular mechanics calculations and experimental studies of conformations of .delta.-valerolactone (1981) (44)
- Heats of formation of organic molecules. 2. The basis for calculations using either ab initio or molecular mechanics methods. Alcohols and ethers (1992) (44)
- CONFORMATIONAL ANALYSIS. XVI. THE ENERGY OF THE BOAT FORM OF CYCLOHEXANONE. DIRECT MEASUREMENTS OF 2-ALKYL KETONE EFFECTS1,2 (1961) (43)
- The MM2 force field for silanes and polysilanes (1988) (43)
- Ab initio calculations with electronic correlation (MP2) on the nucleic acid bases and their methyl derivatives (1994) (43)
- Finite Td symmetry models for diamond: from adamantane to super-adamantane (C35H36) (1992) (42)
- The Molecular Structure and Electronic Spectrum of [8]Paracyclophane. A New Synthetic Method for the Preparation of Strained Large Rings (1963) (42)
- The structure of 1,3,6,8-tetra-tert-butylnaphthalene (1977) (42)
- Molecular Mechanics (MM4) and ab Initio Study of Amide−Amide and Amide−Water Dimers (2003) (42)
- A Hydrocarbon Force Field Utilizing V1 and V2 Torsional Terms (1977) (41)
- The molecular structure and conformation of cyclooctane as determined by electron diffraction and molecular mechanics calculations (1985) (41)
- The Relative Stabilities of cis and trans Isomers. IV. The 3,5-Dimethylcycloheptanones1,2 (1959) (41)
- Conformational Analysis. XLIII. Stereochemical Studies in the Cyclobutane Ring System1-3 (1965) (40)
- Conformational analysis—CXIV (1976) (40)
- Conformational analysis—CXIX : Charge distribution in the molecular mechanics method1 (1977) (39)
- On the out‐of‐plane deformation of aromatic rings, and its representation by molecular mechanics (1987) (39)
- A molecular mechanics study of methyl vinyl ether an related compounds (1982) (38)
- Synthesis of Some Functionally Substituted Benzocyclanones1 (1962) (37)
- The Relative Stabilities of cis and trans Isomers. V. The Bicyclo[5.2.0]nonanes. An Extension of the Conformational Rule1,2 (1959) (37)
- EXCEPTIONAL REACTIVITY OF THE BICYCLO(2.2.1)HEPTENE DOUBLE BOND (1980) (37)
- Ab initio and density functional theory study of structures and energies for dimethoxymethane as a model for the anomeric effect (1996) (36)
- Conformational analysis. LXXIV. Phenol and anisole derivatives (1971) (36)
- Conformational Analysis. XXVIII. The 3-Alkylketone Effect (1962) (35)
- The effect of electronegative atoms on the structures of hydrocarbons. ab initio calculations on molecules containing fluorine or (carbonyl) oxygen (1985) (34)
- Conformational analysis. 125. The importance of twofold barriers in saturated molecules (1977) (34)
- The relative stabilities of Cis and Trans isomers (1957) (34)
- Some chemistry of compounds related to [2.2]metacyclophane (1967) (34)
- Simulation of conformational dynamics with the MM3 force field : the pseudorotation of cyclopentane (1993) (34)
- Molecular Mechanics: The Art and Science of Parameterization (2007) (33)
- Molecular mechanics calculations (MM3) on sulfones (1993) (32)
- Conformational Analysis. II. The 2-Bromo-4-t-butylcyclohexanones1,2 (1958) (32)
- New molecular mechanics (MM2) parameters for ketones and aldehydes (1987) (32)
- Updating the Molecular–Mechanical Force Field for Organic Halides (1980) (32)
- Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements (1982) (31)
- Conformational analysis—CX : Applications of the molecular mechanics method to organic halides (1975) (31)
- The Calculated Electronic Spectra and Structures of Some Cyclic Conjugated Hydrocarbons1,2 (1965) (30)
- Organic Quantum Chemistry. XIII. The Electronic Spectra of the α-Halo Ketones1,2 (1966) (30)
- Conformational analysis. LXX. Perhydrophenanthrenes (1971) (30)
- Conformational Analysis. XXIII. The 4-Cyclohepten-1-one System1 (1962) (30)
- Conformational analysis. LXXXVII. Synthesis of a [7]paracyclophane (1972) (30)
- A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds (1989) (30)
- Conformational analysis. CVII. Contribution of a .beta.-axial methyl group to the Cotton effect of a cyclohexanone (1975) (29)
- Conformational analysis. XL. The configuration of 3-bromo-3-methylcholestane and the conformational equilibrium in 1-bromo-1-methylcyclohexane. (1965) (29)
- Alcohols, ethers, carbohydrates, and related compounds. III. The 1,2‐dimethoxyethane system (2003) (29)
- The torsional potential function for n‐butane (1980) (29)
- Heats of hydrogenation and formation of quadricyclene, nortornadiene, nortornene, and nortricyclene (1980) (29)
- Conformational Analysis. XXIX. The Isopropyl Group1,2 (1962) (28)
- Alcohols, ethers, carbohydrates, and related compounds. Part V.2 The Bohlmann torsional effect (2004) (28)
- Heats of hydrogenation of the cis and trans isomers of cyclooctene (1978) (28)
- Macro Rings. XXI. Mono- and Polysubstituted [2.2]Paracyclophanes1 (1959) (28)
- Molecular Mechanics (MM4) Calculations on Amides (2002) (28)
- Conformational Analysis. XXXVIII. The Conformations of Cyclohexanone Rings (1964) (28)
- Conformational analysis. LVI. Chlorocyclohexane and 1-chloro-1-methylcyclohexane (1967) (28)
- Molecular mechanics studies (MM4) of sulfides and mercaptans (1997) (28)
- Acetone, ab initio calculations☆ (1972) (28)
- Kinetic and mechanistic studies of the Dakin-West reaction (1974) (28)
- Relative Stabilities of cis and trans Isomers. VIII.1a Optical Rotatory Dispersion Studies. XXXIV.1b Kinetic and Equilibrium Measurements on Some Steroidal Hydrindanones (1960) (27)
- Conformational Analysis. XXVII. The Conformers of 2-Fluorocyclohexanone1,2 (1962) (27)
- CONFORMATIONAL ANALYSIS. 118. APPLICATION OF THE MOLECULAR‐MECHANICS METHOD TO ALCOHOLS AND ETHERS (1977) (27)
- Theoretical Approaches to the Problem of the “Size” of the Lone Pair on Nitrogen1-3 (1965) (26)
- Molecular mechanics (MM2 and MM3) calculations on aliphatic and aromatic nitro compounds (1990) (26)
- The external-anomeric torsional effect. (2005) (26)
- The Relative Stabilities of cis and trans Isomers. VI. The Decalins1,2 (1959) (26)
- A molecular mechanics study of alkyl peroxides (1993) (26)
- Conformational analysis—LXXX (1972) (26)
- Equilibrium conformations of higher-energy rotational isomers of vinyl alcohol and methyl vinyl ether (1981) (26)
- A Theory for the Quantitative Calculation of the Amplitudes of Cotton Effect Curves of Ketones1,2 (1966) (26)
- On the conformations of lactone rings (1982) (26)
- Conformational Analysis. XXXII. The Conformation of Ring A in 2,2- and 4,4- Dimethyl-3-ketosteroids (1962) (25)
- Conformational analysis—XCII : The structures and inversion barriers of cyclooctatetraene, tetramethylcyclooctatetraene, and octamethylcyclooctatetraene (1973) (25)
- The importance of van der Waals attractions in determining the equilibrium between 1,4- and 1,6-dialkylcyclooctatetraenes (1982) (24)
- The geometries of pentaprismane and hexaprismane insights from molecular mechanics (1983) (24)
- A MOLECULAR MECHANICS STUDY OF THE CHOLESTERYL ACETATE CRYSTAL : EVALUATION OF INTERCONVERSION AMONG RG, RZ, AND RA BOND LENGTHS (1997) (24)
- Molecular mechanics calculations on carbonyl compounds. III. Cycloketones (2001) (24)
- Conformational analysis. 121. Elemental sulfur (1977) (24)
- Organic quantum chemistry—XIV (1967) (24)
- Enthalpies of hydrogenation of phenylalkynes: indirect determination of the enthalpy of formation of diphenylcyclopropenone (1985) (24)
- Conformational Analysis. XXI. The Ethyl Group (1962) (23)
- Heats of formation of organic molecules calculated by density functional theory: II. Alkanes (1998) (23)
- CONFORMATIONAL ANALYSIS. 120. SMALL POLYENES (1976) (23)
- Molecular mechanics (MM3) calculations on alkyl radicals (1994) (23)
- Branched-chain fatty acids. XXV. Methods of synthesis of 2-alkenoic acids (1953) (23)
- A note on torsional force constants in molecular mechanics for a methyl group attached to a conjugated system (1985) (22)
- Configuration Interaction in Molecular‐Orbital Theory (1967) (22)
- Molecular structure of cycloheptene, C7H12, as determined by electron diffraction and molecular mechanics calculations☆ (1989) (22)
- Conformational analysis—129: Heats of formation and thermodynamic parameters for hydrocarbons, calculated by the molecular mechanics method including the effects of molecular vibrations, (1979) (22)
- Heats of formation of organic molecules by ab initio calculations. 1. Aliphatic amines (1990) (22)
- Molecular mechanics calculations (MM3) on silanes (1997) (22)
- Resurrection of neutral tris-homoaromaticity. (2002) (21)
- Conformational analysis. 128. The Woodward-Fieser rules and .alpha.,.beta.-unsaturated ketones (1978) (21)
- Applications of molecular mechanics to alkyl radicals (1985) (21)
- MM3 Molecular Mechanics Study of Alkylphosphines (1992) (21)
- Synthesis and conformational stabilities of 11-oxo-9α- and 9β-estradiol 3-benzyl ether (1976) (20)
- Conformational analysis. LXXI. Calculation of nuclear magnetic resonance spectra by semiempirical methods. I. Proton chemical shifts in hydrocarbons (1971) (20)
- Molecular Mechanics (MM3) calculations on sulfides (1991) (20)
- CONFORMATIONAL ANALYSIS. XXV. THE MOLECULAR STRUCTURE OF 1,4-CYCLOHEXANEDIONE1,2 (1961) (20)
- Conformational Analysis. XXX. The Cyano Group1,2 (1962) (20)
- Propionaldehyde: ab initio and semi-empirical calculations (1973) (20)
- Conformational Analysis. XIV. The Use of the Polarograph for the Determination of the Conformations of the 2-Halocyclohexanones1,2 (1961) (20)
- Molecular mechanics calculations (MM3) on nitriles and alkynes (1996) (20)
- HEATS OF FORMATION OF ALKANES CALCULATED BY DENSITY FUNCTIONAL THEORY (1995) (20)
- Spectroscopic constants and potential energy surfaces for silanone (H2SiO), hydroxysilylene (HSiOH), the hydroxysilylene dimer, and the disilynyl radical (Si2H) (1996) (20)
- Molecular mechanics (MM4) study of saturated four-membered ring hydrocarbons (2002) (19)
- Quantum Mechanical and Molecular Mechanics (MM3) Studies of Hydrazines (1996) (19)
- Force field calculations (MM3) on glyoxal, quinones, and related compounds (1994) (19)
- Molecular Mechanics (MM3) Calculations on Oxygen-Containing Phosphorus (Coordination IV) Compounds. (1999) (19)
- Conformational Analysis. XX. The Conformation of the Acetyl Side Chain of Pregnane-20-one1,2 (1961) (19)
- On the Molecular Geometry of trans-Cycloöctene (1958) (19)
- The Relative Stabilities of cis and trans Isomers. VII. The Hydrindanes1,2 (1960) (19)
- Molecular mechanics calculations (MM3) on conjugated ketones (1992) (19)
- Van der Waals effects between hydrogen and first‐row atoms in molecular mechanics (MM3/MM4) (2000) (18)
- Understanding molecular structure from molecular mechanics (2011) (18)
- Geometry of norbornane. X-ray crystal structure of exo-N-(2-norbornyl)benzamide (1978) (18)
- Conformational analysis—LXXVII (1971) (18)
- Organic quantum chemistry. XXI. Structure and spectrum of cyclooctadecanonaene ([18]annulene) (1969) (18)
- Molecular mechanics (MM2) parameters for divinyl ethers and aromatic halide derivatives (1988) (18)
- Ab initio calculations of the rotational potential functions for propylamine and ethylmethylamine (1980) (18)
- Conformational Analysis. XXXI. The Isopropyl Group1,2,3 (1962) (18)
- A molecular mechanics (MM3) study of fluorinated hydrocarbons (1999) (18)
- Intensities of infrared bands in molecular mechanics (MM3) (1992) (18)
- Conformational analysis—CXIII : The isomeric cyclooctadienes (1976) (18)
- Conformational analysis—CXVII (1976) (17)
- Conformational Analysis. VIII.1,2 The Dipole Moments of cis- and trans-2-Bromo-4-t-butylcyclohexanone (1960) (17)
- Organic quantum chemistry. XIX. Calculation of the electronic spectra of unsaturated ketones (1968) (17)
- Conformational analysis—CIX (1975) (17)
- The important role of lone-pairs in force field (MM4) calculations on hydrogen bonding in alcohols. (2008) (17)
- Molecular structure of cyclododecane, C12H24, as determined by electron diffraction and molecular mechanics☆ (1989) (17)
- Organic quantum chemistry. XXIV. Theoretical study of the stereochemistry of SE2 and SN2 reactions (1970) (17)
- The Structure of Helvolic Acid. III1,2 (1961) (17)
- Temperature-dependent stereoselectivity and hydrogen deuterium kinetic isotope effect for .gamma.-hydrogen transfer to 2-hexyloxy radical. The transition state for the Barton reaction. (1986) (17)
- Heats of formation of organic molecules by ab initio calculations. Aldehydes and ketones (1992) (17)
- Graphite: A molecular mechanics treatment (1980) (16)
- Heats of formation of organic molecules by Ab Initio calculations: Carboxylic acids and esters (1992) (16)
- Bicyclo(6.2.0)decapentaene (1983) (16)
- Molecular mechanics calculations (MM2 and MM3) on enamines and aniline derivatives (1994) (16)
- Molecular structure and conformational stability of ethyl methyl disulfide: a model of cystine (1988) (16)
- Molecular mechanics calculations on carbonyl compounds. II. Open‐chain ketones (2001) (16)
- The mechanism of the pyrolytic elimination reaction of acetates (1977) (16)
- Optical Rotatory Dispersion Studies. LXXXII.1a Conformational Analysis. XXXVII.1b Determination of the Stereochemistry and Conformation of the Four Isomeric Cyanodihydrocarvones by Optical Rotatory Dispersion and Dipole Moment Measurements2 (1963) (16)
- The MM3 force field for 12-vertex boranes and carboranes (1997) (16)
- Branched-chain fatty acids. XXIV. Synthesis of 2-methyl-2-dodecenoic acid and of 2-methylenedodecanoic acid (1953) (16)
- The effective size of the lone pair on nitrogen (1964) (16)
- Conformational analysis. LXVII. Effect of solvent on the conformational energy of the carbethoxy group (1970) (16)
- Gas-phase structures of di-t-butyl ether and t-butyl methyl ether (1989) (16)
- Torsional potential function of n-butane. Correlation effects in the quantum-mechanical prediction of the syn-anti energy difference (1982) (15)
- Mold Metabolites. VIII. Contribution to the Elucidation of the Structure of Helvolic Acid1 (1956) (15)
- CHAIR-BOAT EQUILIBRIUMS IN BICYCLO(3.3.1)NONANE AT 65 AND 400°C STUDIED BY ELECTRON DIFFRACTION AND MOLECULAR MECHANICS (1981) (15)
- Molecular Structure and Conformations of Cyclononane as Studied by Electron Diffraction and Molecular Mechanics (1990) (15)
- Conformational Analysis. XLVI. The Conformational Energies of the Simple Alkyl Groups1-3 (1966) (15)
- Conformational Analysis. XVIII. The Relative Stabilities of the cis and trans A/B Ring Junctures of Steroidal 4 and 6 Ketones1,2 (1961) (15)
- On the molecular structure of cycloheptadiene (1973) (15)
- Ab initio and molecular mechanics studies of thianthrene and similar molecules (1997) (15)
- Conformational Analysis. XLIV. The Dependence of Some Physical Properties of Acetophenone Derivatives on the Conformation of the Side Chain1-3 (1965) (15)
- The stepwise heats of hydrogenation of barrelene, an ab initio study (1988) (14)
- Molecular mechanics (MM4) study of amines (2007) (14)
- Molecular mechanics studies (MM3) on the conformations of some derivatives of triptycene (1995) (14)
- Pyramidalized Cycloalkenes (Cyclohexene, Cycloheptene, and cis-Cyclooctene): An MM4 and ab Initio Study (2001) (14)
- Aromatic and Pseudoaromatic Non-benzenoid Systems. III. The Synthesis of Some Ten π-Electron Systems1-3 (1962) (14)
- Intramolecular van der Waals' interactions and 1H chemical shifts: steric effects in some cyclic systems (1988) (14)
- Conformational analysis—131: A molecular mechanics treatment of phosphines (1978) (13)
- On the conformational structure of cyclohexadecane, the corresponding ketone, the 1,9-dione and the corresponding ketals (1980) (13)
- Conformational analysis. LXXIII. Perhydroanthracenes. Equilibration study (1971) (13)
- On the growth of bibliographies with time: an exercise in bibliometric prediction (1990) (13)
- Molecular mechanics (MM4) study of fluorinated hydrocarbons. (2006) (13)
- Infrared Spectra of cis- and trans-Propenyllithium. Stereochemistry of the Reaction of Vinyl Chlorides with Lithium Metal (1961) (13)
- Conformation Analysis. XII. The Bicyclo[5.3.0]decanes1,2 (1961) (13)
- Conformational Analysis. XXXIV. The Phenyl Group1,2 (1962) (13)
- Conformational analysis. 126. The conformations and electronic spectra of small nonplanar polyenes (1977) (13)
- Macro Rings. III. Synthesis and Properties of p,p'-Tetramethylene-1,4-diphenylbutane1 (1954) (13)
- Heats of formation of organic molecules calculated by density functional theory. III—Amines (2001) (13)
- Chair-boat equilibriums in bicyclo[3.3.1]nonane at 65 and 400.degree.C studied by electron diffraction and molecular mechanics (1981) (13)
- The stereochemistry of the Michael addition reaction. The synthesis of -3,5 - dimethylcyclohexanone (1966) (13)
- A force field for allenes and for nonlinear acetylenes within the MM2 approximation (1987) (12)
- Organic quantum chemistry. XXVIII. Bond order-bond length relation within the VESCF [variable electronegativity self-consistent field] method (1973) (12)
- Effect of inclusion of electron correlation in MM3 studies of cyclic conjugated compounds (1998) (12)
- Conformational analysis. LXXXV. cis,cis,-1,6-Cyclodecadiene system (1972) (12)
- Further studies on configuration interaction in the molecular orbital theory of π-systems (1968) (12)
- Conformational Analysis. XXVI. Some Stereochemical Studies of the Cycloctane Ring (1962) (12)
- Factors governing the relative stabilities of the C/D cis and trans ring junctures in delta8-11-keto steroids. (1977) (12)
- Conformational Analysis. VI.1a Optical Rotatory Dispersion Studies. XXVII.1b Quantitative Studies of an α-Haloketone by the Rotatory Dispersion Method (1960) (12)
- Molecular structure and conformations of bicyclohexyl, (C6H11)2, as studied by electron diffraction, vibrational spectroscopy and molecular mechanics (1991) (12)
- An extended MM3(96) force field for complexes of the group 1A and 2A cations with ligands bearing conjugated ether donor groups (1998) (12)
- Notes. The Relative Stabilities of cis and trans Isomers. X. The 1,3-Cyclohexanedicarboxylate Esters. (1961) (12)
- Molecular mechanics treatment of .beta.-heteroatom-substituted cyclohexanones (1987) (12)
- Conformational Analysis. XXXV. The Configurations and Conformations of Ring A in the 2-Fluoro-5α-Androstane-3,17-Diones1,2 (1963) (11)
- Calculation of rz structures from rs structures (1997) (11)
- Conformational Analysis. IV. The Conformations of the Cycloöctanone Ring1,2 (1959) (11)
- Aromatic and Pseudoaromatic Nonbenzenoid Systems. IV. Cyclooctatetraene1,2 (1962) (11)
- Vibrational Frequencies and Thermodynamics * (2001) (11)
- Conformation of a saturated 13-membered ring (1984) (11)
- Conformational analysis. C. Conformational transmission. Quantitative approach to the rates of benzylidene formation in steroidal 3-ketones (1974) (11)
- Branched-chain fatty acids. XXVI. Synthesis of optically active acids of use in the study of the structure of C27- phthienoic acid. Partial thermal racemization of (-)-5-methyl-2-tridecenoic acid (1953) (11)
- Rotation around the C1C2 bond of propylamine, an ab initio study (1988) (11)
- Heats of hydrogenation of some vinyl ethers and related compounds (1981) (11)
- Standard geometry functions for ethanol, ethylamine, propanol and propylamine☆ (1986) (10)
- Ab initio calculation on the structure of the bi(anthracene-9,10-dimethylene) photoisomer: is the longest known carbon-carbon bond in this molecule? (1993) (10)
- Heats of formation of organic molecules by ab initio calculations: Alkyl radicals (1993) (10)
- MM3 calculations on sulfoxides (1996) (10)
- Conformational Analysis. XXXIII. On the Conformation of the Cycloöctane Ring1,2 (1962) (10)
- Notes- Conformational Analysis. XV. The Dipole Moment of 2-Fluorocholestanone. (1961) (10)
- Molecular mechanics calculations (MM2) on organometallanes of germanium, tin, and lead (1989) (10)
- Chair and boat conformations in the a ring of 4,4-dimethyl-3-keto steroids (1978) (10)
- Molecular mechanics calculations on carboranes and metallocarboranes (1996) (10)
- Molecular mechanics parameters for organophosphines (1987) (9)
- Notes- Relative Stabilities of cis and trans Isomers. XI. The 9-Methyldecalins. (1961) (9)
- Reduction of 6,7-Diphenyldibenzo[e,g] [1,4]diazocine. An Unusual Nucleophilic Aromatic Substitution1 (1959) (9)
- Conjugative Stabilization in an “Antiaromatic” System: The Conformational Mobility of 1,5‐Bisdehydro[12]annulene (1977) (9)
- Notes: The Dipole Moment of Norbornylene. Use of the IBM 650 Computer for Dipole Moment Calculations (1959) (9)
- Conformational analysis. LXIII. 1-Methylcyclohexanol system (1968) (9)
- Modeling of Glucopyranose: The Flexible Monomer of Amylose (1990) (9)
- Ab Initio and Molecular Mechanics Calculations on the Inversion of Cs to C2 Conformations of 1,3-Cycloheptadiene (1994) (9)
- MOLECULAR MECHANICS (MM3) STUDY OF ORGANOGERMANES (1999) (9)
- On the Barrier to Inversion of Cyclooctatetraene. The Thermal Decomposition of Dibenzo[e,g][1,4]diazocine1 (1963) (9)
- Molecular mechanics (MM4) calculations on carbonyl compounds part I: aldehydes (2001) (9)
- Conformational analysis—133: 3,3-dimethyl-2,4-pentanedione. The importance of induction and solvation1Tetrahedron 34, 3385 (1978). (1978) (9)
- Conformational analysis. LVI. Enol contents of the cyclanones and the alternation of enol content with chain length in the alkanones (1967) (8)
- Androsterone. The structure by force-field calculations (1975) (8)
- Treatment of electrostatic effects within the molecular mechanics method. 3. Double bonds and conjugated systems (1991) (8)
- Conformational analysis. XLIX. The conformations of the acetyl side chains of some compounds related to pregnan-20-one. (1966) (8)
- Conformational analysis. CII. Levopimaric acid and related steroidal dienes. (1974) (8)
- The calculated electronic spectra and structures of heptafulvene and the benzoheptafulvenes12 (1966) (8)
- Branched-Chain Fatty Acids. XVII. Synthesis of two Trimethylalkanoic Acids. Certain Relationships of Boiling Point and Index of Refraction to Structure (1951) (8)
- Molecular mechanics (MM3) calculations on azoxy compounds (1994) (8)
- Notes - The Nuclear Magnetic Resonance Spectrum of Helvolic Acid (1956) (8)
- Molecular Mechanics (MM4) Studies on Unusually Long Carbon-Carbon Bond Distances in Hydrocarbons. (2016) (8)
- Ab initio studies of structural features not easily amenable to experiment. 22. Structural aspects of a long‐chain hydrocarbon (n‐nonane) and a study of the transferability of electronic effects through CC single bonds (1982) (8)
- Notes - The Relative Stabilities of Cis and Trans Isomers. II. The Decalin and Hydrindan Ring Systems. (1956) (8)
- Molecular mechanics (MM2) calculations on organo selenium and tellurium compounds (1989) (8)
- Macro Rings. VI. The Preparation of Three New Paracyclophanes1a (1954) (8)
- Conformations of cycloundecane. (2006) (8)
- MM3 calculations of aromatic heterocyclic compounds: sulfur-nitrogen containing molecules (1996) (8)
- Molecular mechanics calculations on carbonyl compounds. IV. Heats of formation (2001) (8)
- Conformational analysis. LIX. Relative stabilities of the cis- and trans-dimethylcyclohexanes (1968) (8)
- Hyperconjugative effects on carbon - Carbon bond lengths in molecular mechanics (MM4) (1996) (7)
- Conformational analysis. XC. Stereochemical studies of some dimethylated six- and seven-membered-ring hydrocarbons (1973) (7)
- Molecular mechanics calculations (MM3) on bicycloalkyl hydrocarbons (1993) (7)
- Molecular mechanics (MM2) calculations on siloxanes (1989) (7)
- Conformational Analysis. XXXVI. Some Consequences of the Non-Planarity of Cyclobutane and Cyclobutanone Rings (1962) (7)
- Conformational analysis3̄CXXIV: The conformation of ring A in the 4,4-dimethyl-3-androstanone system. The crystal structure of 4,4-dimethylandrostan-3-on-17β-yl benzoate (1977) (7)
- Aromatic and Pseudoaromatic Nonbenzenoid Systems. II. Studies Directed toward the 1,2-Diaza-3,5,7-cyclooctatriene System1,2 (1960) (7)
- Conformational analysis of 2-aminoindans and 2-(aminomethyl)indans in relation to their central dopaminergic effects and a dynamic dopamine receptor concept. (1987) (7)
- The Relative Stabilities of cis and trans Isomers. IX. A Study of the Importance of Conformational Transmission in Determining the Relative Stabilities of Hydrindanones in Steroidal Systems1 (1960) (7)
- Molecular mechanics (MM3) calculations on lithium amide compounds (2003) (7)
- The Stereochemistry of Cyclooctatetraene Dibromide1 (1963) (7)
- Conformational analysis—III: The reactions of the cyclooctenes with halogen, and the dipole moments of thecis- andtrans-1,2-dichlorocyclooctanes (1967) (7)
- Energy relations in teaching organic chemistry (1963) (7)
- Resolved cis-10-hydroxy-4-n-propyl-1,2,3,4,4a,5,6,10b- octahydrobenzo[f]quinoline : central serotonin stimulating properties. (1987) (7)
- Heats of formation of organic molecules by ab initio methods: Thiaalkanes (1992) (7)
- The gas-phase structures of some highly strained compounds: di-t-butylmethane, di-t-butylamine and di-t-butyl ketone (1994) (6)
- VESCF calculations of the spectra of some hydrocarbons containing triple bonds (1968) (6)
- Molecular structure of tetra-tert-butyltetrahedrane, bitetrahedryl, and hexa-tert-butylbitetrahedryl: experiment and theory (MM3) (1993) (6)
- Conformational analysis. LXXXI. .gamma.-Piperidone and related compounds (1972) (6)
- Ab initio conformational analysis and geometry optimization of cyclooctane and comparison with molecular mechanics results (1988) (6)
- Communications to the Editor: The Synthesis of Highly Strained Medium Rings.1 (8) Paracyclophane-4-carbolic Acid (1962) (6)
- Conformational Analysis. XIII. On the Geometry of the Cycloöctane Ring. The Relative Stabilities of the 1,3-Dimethylcycloöctanes1,2 (1961) (6)
- Conformational analysis—CXIV : Molecular mechanics studies of sulfoxides (1978) (6)
- Molecular mechanics calculations (MM2) on aliphatic nitriles (1989) (6)
- Conformational analysis. CV. Syn-diaxial methyl carboethoxy interaction (1974) (5)
- The energy of the boat form of a simple cyclohexanone. (1965) (5)
- Molecular mechanics calculations (MM3) on alkyl iodides (1994) (5)
- Conformational analysis. LXXVI. Perhydrodurenes (1971) (5)
- MM2. A Hydrocarbon Force Field Utilizing VI and V2 Torsional Terms1j2 (1977) (5)
- The stereoisomers of perhydrophenanthrene (1985) (5)
- Calculated molecular structures and electronic spectra of the geometric isomers of a model carotenoid molecule, 6,11-dimethylhexadecaheptaene (1981) (5)
- Conformational analysis. LXXV. Methylation rates of cis- and trans-4-tert-butyl-N,N-dimethylcyclohexylamines (1971) (5)
- Organic quantum chemistry—XXV : A theoretical study of the electronic spectra of some α-diketones and unsaturated ketones (1970) (5)
- Organic quantum chemistry—XIV : A theoretical study of the molecular structure and electronic spectrum of octalene (bicyclo[6.6.0]tetradecaheptaene)☆☆☆ (1967) (5)
- Topics in Stereochemistry (1967) (4)
- The structure of the bitetrahedryl molecule—A major shift due to electron correlation: Effects of carbonyl substituents, implications for the structure of coupled tricyclo[3.1.0.02,6]hexyl, and extension to cubylcubane (1992) (4)
- Additions and Corrections - The Structure of 1,3,6,8-Tetra-tert-butylnapththalene (1979) (4)
- Crystal and molecular structure of 6,7-diphenyldibenzo[e,g][1,4]diazocine, a heterocyclic cyclo-octatetraene (1973) (4)
- Conformational Analysis. XXIV. The Dipole Moment of 4-Fluorocoprostan-3-one1 (1962) (4)
- The conformational equilibrium of 1,3-dichloro-5-methylcyclohexane (1981) (4)
- Molecular Mechanics (MM4) Calculations on [3.3]- and [4.4]Orthoparacyclophanes† (2004) (4)
- Notes- Conformational Analysis. XIX. Optical Rotatory Dispersion Studies. L. The Conformers of trans-2-Chloro-5-methylcyclohexanone (1961) (4)
- MM3 force field prediction of the enantioselective preference in the asymmetric synthesis of a chiral 2-cyclohexen-1-ol using a chiral lithium amide reagent (2008) (4)
- Structures of organic molecules (1965) (4)
- Conformational analysis. XCIX. 1-Decalone ring system (1974) (4)
- CONFORMATIONAL ANALYSIS. 128. THE WOODWARD-FIESER RULES AND α,β-UNSATURATED KETONES (1978) (4)
- Conformational analysis. LXXII. Solvolysis studies with the 5-phenylcyclooctanol system (1971) (4)
- Conformational state of cyclooctane, C8H14, in the gas phase (1990) (4)
- Conformational analysisLII , The conformation of ring a in 5-3-ketosteroids (1967) (3)
- Conformational Analysis. V. 2-Bromocycloöctanone1,2 (1959) (3)
- The dopaminergic moiety of the ergots: a controversial topic studied with molecular mechanics. (1987) (3)
- The synthesis of 1-methyl-2:3,6:7-dibenzo-1,4, 5-triaza-cyclohepta-2,6-diene (1959) (3)
- MOLECULAR MECHANICS (MM3) CONFORMATIONAL STUDIES OF CYCLIC AND ACYCLIC MONOCHLOROALKANES (1996) (3)
- Molecular mechanics studies on the supra annular effect of 3-cyclohexene-1-carboxaldehyde compounds (1986) (3)
- Conformational analysis. LXXXVI. Equilibrium between the cis and trans isomers of 2-decalone (1972) (3)
- Conformational analysis in the elementary organic course (1964) (3)
- CONFORMATIONAL ANALYSIS. 125. THE IMPORTANCE OF TWOFOLD BARRIERS IN SATURATED D MOLECULES (1977) (3)
- Conformational analysis. LXII. solvolysis and deamination studies of the 5-t-butylcylooctyl system. (1968) (3)
- How Small Can a Catenane Be? (2014) (3)
- Conformational Analysis. LIV. The 2-Bromo Derivatives of 4-t-Butylcyclohexanone, 4,4-Dimethylcyclohexanone, 6,6-Dimethylcyclohexanone, and 2,6,6-Trimethylcyclohexanone (1967) (2)
- Catenanes: A molecular mechanics analysis of the (C13H26)2 Structure 13‐13 D2 (2016) (2)
- Molecular mechanics calculations of 10-vertex boron cage compounds. (2000) (2)
- Conformational analysis. LXVI. Studies involving the 3-tert-butylcyclooctyl ring system (1970) (2)
- Van der Waals effects between hydrogen and first-row atoms in molecular mechanics (MM3/MM4) (2000) (2)
- The conformational equilibrium in bicyclo(3.3.1)nonane at 65–400°C by electron diffraction and molecular mechanics (1979) (2)
- Determination of the structure of (i,o)-bicyclo[6.2.2]dodeca-11-ene-2,3-anhydride by X-ray crystallography and molecular mechanics (1989) (2)
- On the inversion barrier in tetrabenzocyclooctatetraene (1972) (2)
- The conformation of ring A in 4,4-dimethyl-3-keto-steroids☆☆☆ (1961) (2)
- Force Fields: MM3 (2002) (2)
- Molecular mechanics (MM3) study of the structures and energetics of corannulene (C20H10), cyclopentacorannulene (C22H12) and the hemi‐spherical C30H10 (1994) (2)
- CONFORMATIONAL ANALYSIS. XXXIX. THE CONFORMATIONS OF RING A IN BROMO DERIVATIVES OF CHOLESTAN-3-ONE AND RELATED COMPOUNDS. (1965) (2)
- The relative stabilities ofCis andTrans isomers (1954) (2)
- Force Fields: A Brief Introduction (2002) (2)
- Enthalpies of Hydrogenation of Phenylalkynes: Indirect Determination of the Enthalpy of Formation of Diphenylcyclopropenone. (1986) (2)
- “Effects” in Organic Chemistry (2010) (2)
- Dipole moments in organic chemistry (Minikin, Vladimir I.; Osipov, Osip A; Zhdanov, Yurii A.) (1972) (2)
- On the Heats of Formation of Alkanes (2019) (2)
- Expanding molecular dynamics simulations to the NMR time scale. I. Studies of conformational interconversions of 1, 1‐difluoro‐4, 4‐dimethylcycloheptane using MM3‐MD (1994) (2)
- Bridged Aromatic Compounds. Brandes H. Smith. Academic Press, New York, 1964. xii + 533 pp. Illus. $14 (1965) (2)
- Molecular mechanics (MM4) calculations on carbonyl compounds. I–IV. (2003) (2)
- FACTORS GOVERNING THE RELATIVE STABILITIES OF THE C D CIS AND TRANS RING JUNCTURES IN Δ8-11-KETO STEROIDS (1977) (2)
- Molecular mechanics (MM3) studies of monochloroalkanes (1997) (2)
- Molecular structure and conformations of bicyclopentyl, C5H9C5H9, as studied by electron diffraction, molecular mechanics and ab initio methods (1996) (2)
- Finite Td Symmetry Models for Diamond: From Adamantane to Superadamantane (C35H36) (1992) (1)
- On the inversion barriers in the di- and tri-benzosilepins (1973) (1)
- Stereoisomers of perhydrophenanthrene. The synthesis and crystal structure of a derivative of the trans-syn-trans isomer (1984) (1)
- Abnormally long Si–Si bonds in cyclotrisilane derivatives: nonbonded interactions? (1999) (1)
- More “Effects”—Negative Hyperconjugation (2010) (1)
- Additions and Corrections - Treatment of Electrostatic Effects within the Molecular Mechanics Method (1985) (1)
- Conformational analysis. 127. Force field calculations on the dodecahydrophenanthrenes (1977) (1)
- The structure of the cyclooctadecane ring system. 1,10-Cyclooctadecanedione (1982) (1)
- Conformational analysis of mono- and di-C-substituted derivatives ofcloso-3,3-[η2,3-(2-methylenebicyclo[2.2.1]hepta-2,5-dien-2-yl)]-1-R-2-R1-3,1,2-dicarbollylrhodium (R and R1=h, Me, or PhCH2)-(2-methylenebicyclo[2.2.1]hepta-2,5-dien-2-yl)]-1-R-2-R1-3,1,2-dicarbollylrhodium (R and R1=h, Me, or PhCH2 (1998) (1)
- Cumulative Index, Volumes 1–15 (1984) (1)
- Notes- Structures of the "Isomers" of 2,3,6,7-Dibenzo-1-thia-4,5-diazacyclohepta-2,4,6-triene-1,1-dioxide (1959) (1)
- A Molecular Mechanics ( MMZ ) Study of Furan , Thiophene , and Related Compounds (2004) (1)
- CONFORMATIONAL ANALYSIS PART 92, THE STRUCTURES AND INVERSION BARRIERS OF CYCLOOCTATETRAENE, TETRAMETHYLCYCLOOCTATETRAENE, AND OCTAMETHYLCYCLOOCTATETRAENE (1973) (0)
- ORGANIC QUANTUM CHEMISTRY PART 33, ELECTRONIC SPECTRA AND ROTATIONAL BARRIERS OF VINYLBORANE, ALLYL CATION, AND RELATED COMPOUNDS (1975) (0)
- Cumulative Index, Volumes 1-09 (1976) (0)
- The Gas‐Phase Structures of Some Highly Strained Compounds: Di‐tert‐ butylmethane, Di‐tert‐butylamine and Di‐tert‐butyl Ketone (1994) (0)
- CONFORMATIONAL ANALYSIS PART 105, THE SYN-DIAXIAL METHYL/CARBOETHOXY INTERACTION (1974) (0)
- Template Recognition of Organosiloxane Stereoregular Macrocycles. Computational and Experimental Modeling of Sol-Gel Systems Formation (1999) (0)
- Additions and Corrections-Conformational Analysis. XIV. The Use of the Polargraph for the Determination of the Conformations of the 2-Halocyclohexanones (1961) (0)
- Molecular Mechanics of Alkanes (2010) (0)
- Molecular Mechanics (MM2 and MM3) Calculations on Aliphatic and Aromatic Nitro Compounds. (1991) (0)
- Cumulative Index, Volumes 1-16 (1986) (0)
- Editors' preface (2001) (0)
- CONFORMATIONAL ANALYSIS PART 106, ON THE 1,5-CYCLOOCTADIENE RING (1975) (0)
- CONFORMATIONAL ANALYSIS PART 107, THE CONTRIBUTION OF A BETA-AXIAL GROUP TO THE COTTON EFFECT OF A CYCLOHEXANONE (1975) (0)
- On the Heats of Formation of Alkanes1 (2015) (0)
- The Stereoisomers of Perhydrophenanthrene. (1986) (0)
- CONFORMATIONAL ANALYSIS PART 91, ORGANIC QUANTUM CHEMISTRY PART 31, PROPIONALDEHYDE, AB INITO AND SEMI-EMPIRICAL CALCULATIONS (1973) (0)
- ELECTRONIC STRUCTURE AND PHOTOPHYSICAL PROPERTIES OF PLANAR CONJUGATED HYDROCARBONS WITH A 4N-MEMBERED RING. PART III. CONJUGATIVE STABILIZATION IN AN ′ANTIAROMATIC′ SYSTEM- THE CONFORMATIONAL MOBILITY OF 1,5-BISDEHYDRO(12)ANNULENE (1978) (0)
- Molecular Mechanics Parameters for Organophosphines. (1988) (0)
- Direct Transformation of Carboxylic Acids into Aldehydes (2020) (0)
- CONFORMATIONAL ANALYSIS PART 102, LEVOPIMARIC ACID AND RELATED STEROIDAL DIENES (1974) (0)
- Cumulative Index, Volume 1-5 (1970) (0)
- KONFORM.-ANALYSE 87. MITT. SYNTH. EINES (7)PARACYCLOPHANS (1973) (0)
- Notes- Conformational Analysis. VII. The Dipole Moment of 2-Bromocyclooctanone (1960) (0)
- New Molecular Mechanics (MM2) Parameters for Ketones and Aldehydes. (1988) (0)
- Molecular Mechanics Treatment of β-Heteroatom-Substituted Cyclohexanones. (1987) (0)
- Molecular Mechanics Studies on the Supra Annular Effect of 3-Cyclohexene-1-carboxaldehyde Compounds. (1986) (0)
- CONFORMATIONAL ANALYSIS PART 101, THE GAUCHE-HYDROGEN INTERACTION AS THE BASIS OF CONFORMATIONAL ANALYSIS (1974) (0)
- Additional Stereochemical Effects in Carbohydrates (2010) (0)
- CONFORMATIONAL ANALYSIS. CXIII. THE ISOMERIC CYCLOOCTADIENES (1976) (0)
- Editorial (1996) (0)
- Organic Chemistry@@@Essentials of Organic Chemistry@@@Organic Chemistry: A Short Course@@@Selected Principles of Organic Chemistry@@@Organic Chemistry: Methane to Macromolecules (1975) (0)
- SOME KINETIC AND MECHANISTIC STUDIES OF THE DAKIN-WEST REACTION (1974) (0)
- Crystal Structure Calculations (2010) (0)
- Cumulative Index, Volumes 1-13 (1982) (0)
- Cumulative Index, Volumes 1-11 (1979) (0)
- Temperature-Dependent Stereoselectivity and Hydrogen Deuterium Kinetic Isotope Effect for γ-Hydrogen Transfer to 2-Hexyloxy Radical. (1986) (0)
- CONFORMATIONAL ANALYSIS PART 110, APPLICATIONS OF THE MOLECULAR MECHANICS METHOD TO ORGANIC HALIDES (1975) (0)
- Molecular Structure of Tetra‐tert‐butyltetrahedrane, Bitetrahedryl, and Hexa‐tert‐butylbitetrahedryl: Experiment and Theory (MM3). (1993) (0)
- Heats of Formation of Alkanes Calculated by Density Functional Theory. (1995) (0)
- Editorial (1993) (0)
- Heats of Formation (2010) (0)
- CONFORMATIONAL ANALYSIS PART 100, CONFORMATIONAL TRANSMISSION, A QUANTITATIVE APPROACH TO THE RATES OF BENZYLIDENE FORMATION IN STEROIDAL 3-KETONES (1974) (0)
- Additions and Corrections-Conformational Analysis. XLVI The Conformational Energies of the Simple Alkyl Groups (1966) (0)
- Molecular Structures by Computational Methods (2010) (0)
- Molecular Structure of Cyclododecane, C12H24, as Determined by Electron Diffraction and Molecular Mechanics. (1990) (0)
- Cumulative Index, Volume 1-4 (1969) (0)
- UPDATING THE MOLECULAR-MECHANICAL FORCE FIELD FOR ORGANIC HALIDES (1980) (0)
- THE (8)PARACYCLOPHANE RING SYSTEM. STRUCUTRE AND SPECTROSCOPIC PROPERTIES OF 4-CARBOXY(8)PARACYCLOPHANE (1973) (0)
- Molecular mechanics for organometallic molecules: prediction and explanation (1996) (0)
- Structure of the molecules of methylenecyclobutane and dicyclobutylidene from data on electron diffraction and molecular mechanics (1983) (0)
- Simulation of Conformational Dynamics with the MM3 Force Field: The Pseudorotation of Cyclopentane. (1993) (0)
- Cumulative Index, Volume 1-3 (1968) (0)
- CONFORMATIONAL ANALYSIS PART 95. ON THE MOLECULAR STRUCTURE OF CYCLOHEPTADIENE (1974) (0)
- On the Heats of Formation of Alkanes 1 (2010) (0)
- Editorial (1996) (0)
- Additions and Corrections - The Conformation of the Acetyl Side Chain of Pregnan-20-one (1962) (0)
- Additions and Corrections - Conformational Analysis. XVI. The Energy of the Boat Form of Cyclohexanone. Direct Measurements of the 2-Alkyl Ketone Effects. (1962) (0)
- The MM2 Force Field for Silanes and Polysilanes. (1989) (0)
- CONFORMATIONAL ANALYSIS PART 90, ORGANIC QUANTUM CHEMISTRY PART 30, CALCULATION OF THE STRUCTURES OF HYDROCARBONS BY THE MOLECULAR MECHANICS METHOD (1973) (0)
- Cumulative Index. Volumes 1-10 (1979) (0)
- R.P. Linstead and B.C.L. Weedon: A Guide to Qualitative Organic Chemical Analysis : Butterworths, London, and Academic Press, New York, 1956. xi + 169 pp. 21s. $4.50.☆☆☆ (1957) (0)
- Molecular mechanics (MM3) study of the lactones of endo‐bicyclo[2.2.2]oct‐5‐ene‐2‐carboxylic acid (1999) (0)
- Cumulative Index, Volume 1-7 (1973) (0)
- Cumulative Index, Volume 1-6 (1971) (0)
- ACETON, AB INITIO-BERECHNUNGEN (1972) (0)
- Cumulative Index, Volumes 1-14 (1983) (0)
- Experimental Molecular Structures (2010) (0)
- CONFORMATIONAL ANALYSIS PART 99, THE 1‐DECALONE RING SYSTEM (1974) (0)
- Conformational analysis XLVI. The conformation of the 17-azapregnan-20-one side chain. (1965) (0)
- Heats of Formation by Density Functional Theory Calculations (1999) (0)
- Molecular Structure of Cycloheptene, C7H12, as Determined by Electron Diffraction and Molecular Mechanics Calculations. (1989) (0)
- CRYSTAL AND MOLECULAR STRUCTURE OF 6,7-DIPHENYLDIBENZO(E,G)(1,4)DIAZOCINE A HETEROCYCLIC CYCLO-OCTATETRAENE (1974) (0)
- Computational Studies of Phosphate Derivatives (2010) (0)
This paper list is powered by the following services:
Other Resources About Norman Allinger
What Schools Are Affiliated With Norman Allinger?
Norman Allinger is affiliated with the following schools:
