| Year |
Citation |
Score |
| 2009 |
Cook CM, Lee RH, Allen LC. Electronic roles of active site residues in the catalysis and inhibition of carbonic anhydrase International Journal of Quantum Chemistry. 24: 263-276. DOI: 10.1002/Qua.560240726 |
0.344 |
|
| 2009 |
Ha T, Fink WH, Allen LC. Multicenter distribution of molecular integrals and energy components International Journal of Quantum Chemistry. 1: 431-443. DOI: 10.1002/Qua.560010648 |
0.32 |
|
| 2009 |
Ha T, Allen LC. The influence of chemical substitution on inner shells International Journal of Quantum Chemistry. 1: 199-203. DOI: 10.1002/Qua.560010624 |
0.314 |
|
| 2002 |
Meek TL, Allen LC. Configuration irregularities: Deviations from the Madelung rule and inversion of orbital energy levels Chemical Physics Letters. 362: 362-364. DOI: 10.1016/S0009-2614(02)00919-3 |
0.328 |
|
| 2000 |
Murphy LR, Meek TL, Allred AL, Allen LC. Evaluation and Test of Pauling's Electronegativity Scale Journal of Physical Chemistry A. 104: 5867-5871. DOI: 10.1021/Jp000288E |
0.305 |
|
| 2000 |
Mann JB, Meek TL, Allen LC. Configuration energies of the main group elements Journal of the American Chemical Society. 122: 2780-2783. DOI: 10.1021/Ja992866E |
0.307 |
|
| 1995 |
Allen LC, Burdett JK. The Metallic Bond-Dead or Alive? Kommentar und Antwort Angewandte Chemie. 107: 2157-2157. DOI: 10.1002/Ange.19951071808 |
0.308 |
|
| 1994 |
Allen LC, Capitani JF. What is the metallic bond? Journal of the American Chemical Society. 116: 8810. DOI: 10.1021/Ja00098A051 |
0.306 |
|
| 1993 |
Allen LC. Configuration energy and bond polarity Journal of Physical Chemistry. 97: 5787. DOI: 10.1021/J100123A052 |
0.347 |
|
| 1993 |
Friedman P, Ferris KF, Allen LC. Theoretical investigations of the molecular and vibrational structure of divinyl sulfone Journal of Molecular Structure: Theochem. 285: 17-26. DOI: 10.1016/0166-1280(93)87015-6 |
0.314 |
|
| 1993 |
Allen LC, Capitani JF, Kolks GA, Sproul GD. Van Arkel-Ketelaar triangles Journal of Molecular Structure. 300: 647-655. DOI: 10.1016/0022-2860(93)87053-C |
0.361 |
|
| 1991 |
Liang C, Allen LC. .sigma.-Bridged-.pi. bonding in small-ring compounds Journal of the American Chemical Society. 113: 1878-1884. DOI: 10.1021/Ja00006A002 |
0.324 |
|
| 1991 |
Liang C, Allen LC. Double Bond Deformation: Cumulenes, Cumulenones, and Group IV Ethylene Analogues Journal of the American Chemical Society. 113: 1873-1878. DOI: 10.1021/Ja00006A001 |
0.315 |
|
| 1991 |
Reed LH, Allen LC. 1,5‐C2B3H5 and C5H8, 1,5‐C2B3H3 and C5H6: Carborane‐hydrocarbon structural analogs with unusual three‐center bonds International Journal of Quantum Chemistry. 40: 489-505. DOI: 10.1002/Qua.560400845 |
0.397 |
|
| 1991 |
Reed LH, Jayasuria K, Koovakkat SK, Allen LC. Estimation of thermodynamic stability and charge distribution for unknown molecules: Nitro derivatives of cubane Journal of Physical Organic Chemistry. 4: 714-720. DOI: 10.1002/Poc.610041203 |
0.314 |
|
| 1990 |
Kitchen DB, Jackson JE, Allen LC. Organosilicon rings: Structures and strain energies Journal of the American Chemical Society. 112: 3408-3414. DOI: 10.1021/Ja00165A025 |
0.352 |
|
| 1990 |
Liang C, Allen LC. Group IV double bonds: Shape deformation and substituent effects Journal of the American Chemical Society. 112: 1039-1041. DOI: 10.1021/Ja00159A023 |
0.388 |
|
| 1990 |
Allen LC, Egolf DA, Knight ET, Liang C. Bond polarity index Journal of Physical Chemistry. 94: 5602-5607. DOI: 10.1021/J100377A037 |
0.354 |
|
| 1988 |
Francl MM, Pellow RC, Allen LC. Phosphoranes: Multiple bonding and substituent effects Journal of the American Chemical Society. 110: 3723-3728. DOI: 10.1021/Ja00220A001 |
0.513 |
|
| 1988 |
Peters NJS, Allen LC, Firestone RA. Fluorine azide and fluorine nitrate: Structure and bonding Inorganic Chemistry. 27: 755-758. DOI: 10.1021/Ic00277A035 |
0.365 |
|
| 1987 |
Liang C, Allen LC. Sulfur does not form double bonds in phosphorothioate anions Journal of the American Chemical Society. 109: 6449-6453. DOI: 10.1021/Ja00255A034 |
0.385 |
|
| 1987 |
Kitchen DB, Ruane TP, Allen LC. Water binding in cryogenic liquids: The H2O...N2 hydrogen bond Chemical Physics Letters. 141: 525-529. DOI: 10.1016/0009-2614(87)85074-1 |
0.351 |
|
| 1986 |
Zacher R, Allen LC, Licciardello DC. An LCAOMOSCF calculation of the infrared spectra of SiHSi three center bonds in aSi:H Journal of Non-Crystalline Solids. 85: 13-19. DOI: 10.1016/0022-3093(86)90074-8 |
0.347 |
|
| 1986 |
Friedman P, Allen LC. The electronic structure of 4H‐pyran‐4‐one and its sulfur analogues International Journal of Quantum Chemistry. 29: 1503-1512. DOI: 10.1002/Qua.560290541 |
0.376 |
|
| 1985 |
Friedman DS, Francl MM, Allen LC. Anionic hyperconjugation Tetrahedron. 41: 499-506. DOI: 10.1016/S0040-4020(01)96491-9 |
0.536 |
|
| 1984 |
Sheridan RP, Knight ET, Allen LC. The effect of deuterium substitution on hydrogen bonds in redox proteins. Biopolymers. 23: 195-200. PMID 6704486 DOI: 10.1002/Bip.360230203 |
0.359 |
|
| 1983 |
Rohlfing CM, Allen LC, Ditchfield R. Proton chemical shift tensors in hydrogen-bonded dimers of RCOOH and ROH The Journal of Chemical Physics. 79: 4958-4966. DOI: 10.1063/1.445589 |
0.375 |
|
| 1983 |
Rohlfing CM, Allen LC, Cook CM, Schlegel HB. The structure of (H3O2)- The Journal of Chemical Physics. 78: 2498-2503. DOI: 10.1063/1.445056 |
0.529 |
|
| 1982 |
Cook CM, Allen LC. The organoaluminum bond: single vs. multiple bonding Organometallics. 1: 246-251. DOI: 10.1021/Om00062A004 |
0.361 |
|
| 1982 |
McMichael Rohlfing C, Allen LC, Ditchfield R. Proton chemical shift tensors in neutral and ionic OH⋯O hydrogen bonds Chemical Physics Letters. 86: 380-383. DOI: 10.1016/0009-2614(82)83527-6 |
0.335 |
|
| 1981 |
Allen LC. The catalytic function of active site amino acid side chains in well-characterized enzymes. Annals of the New York Academy of Sciences. 367: 383-406. PMID 6266319 DOI: 10.1111/J.1749-6632.1981.Tb50580.X |
0.314 |
|
| 1980 |
Desmeules PJ, Allen LC. Strong, positive-ion hydrogen bonds: The binary complexes formed from NH3, OH2, FH, PH3, SH2, and CIH The Journal of Chemical Physics. 72: 4731-4748. DOI: 10.1063/1.439807 |
0.368 |
|
| 1980 |
Sheridan RP, Allen LC. The nature of hydrogen bonding in electron-transport proteins Chemical Physics Letters. 69: 600-604. DOI: 10.1016/0009-2614(80)85137-2 |
0.392 |
|
| 1980 |
Tse Y-, Newton MD, Allen LC. Theoretical study of the o-methyl substituent effect in hydrogen bonds Chemical Physics Letters. 75: 350-356. DOI: 10.1016/0009-2614(80)80529-X |
0.326 |
|
| 1979 |
Valentine JS, Sheridan RP, Allen LC, Kahn PC. Coupling between oxidation state and hydrogen bond conformation in heme proteins. Proceedings of the National Academy of Sciences of the United States of America. 76: 1009-13. PMID 220604 DOI: 10.1073/Pnas.76.3.1009 |
0.375 |
|
| 1979 |
Sheridan RP, Lee RH, Peters N, Allen LC. Hydrogen‐bond cooperativity in protein secondary structure Biopolymers. 18: 2451-2458. DOI: 10.1002/Bip.1979.360181006 |
0.398 |
|
| 1978 |
Kerns RC, Allen LC. Cyclic and bifurcated hydrogen bonds Journal of the American Chemical Society. 100: 6587-6594. DOI: 10.1021/Ja00489A008 |
0.368 |
|
| 1977 |
Goetz DW, Schlegel HB, Allen LC. Ab initio electronic structure calculations for classical and nonclassical structures of the 2-norbornyl cation [48] Journal of the American Chemical Society. 99: 8118-8120. DOI: 10.1021/Ja00466A091 |
0.326 |
|
| 1977 |
Deakyne CA, Allen LC, Craig NC. Bond length changes resulting from halogen substitution on three-membered rings Journal of the American Chemical Society. 99: 3895-3903. DOI: 10.1021/Ja00454A001 |
0.328 |
|
| 1977 |
Deakyne CA, Allen LC, Laurie VW. Bond length changes resulting from substitution and ring opening in three-membered systems Journal of the American Chemical Society. 99: 1343-1349. DOI: 10.1021/Ja00447A009 |
0.308 |
|
| 1977 |
Allen LC, Belkin RN. The effect of electron donor substitution on hydrogen bonding Advances in Molecular Relaxation and Interaction Processes. 11: 233-241. DOI: 10.1016/0378-4487(77)80035-6 |
0.4 |
|
| 1976 |
Dill JD, Allen LC, Topp WC, Pople JA. Systematic Study Of The Nine Hydrogen-Bonded Dimers Involving Ammonia, Water, And Hydrofluoric Acid Cheminform. 7. DOI: 10.1002/Chin.197608004 |
0.532 |
|
| 1975 |
Allen LC. A model for the hydrogen bond. Proceedings of the National Academy of Sciences of the United States of America. 72: 4701-5. PMID 16592290 DOI: 10.1073/Pnas.72.12.4701 |
0.405 |
|
| 1975 |
Dill JD, Allen LC, Topp WC, Pople JA. Systematic study of the nine hydrogen-bonded dimers involving ammonia, water, and hydrofluoric acid Journal of the American Chemical Society. 97: 7220-7226. DOI: 10.1021/Ja00858A004 |
0.532 |
|
| 1975 |
Allen LC. Simple model of hydrogen bonding Journal of the American Chemical Society. 97: 6921-6940. DOI: 10.1021/Ja00857A001 |
0.364 |
|
| 1974 |
Topp WC, Allen LC. Structure and properties of hydrogen bonds between the electronegative atoms of the second and third rows [33] Journal of the American Chemical Society. 96: 5291-5293. DOI: 10.1021/Ja00823A066 |
0.378 |
|
| 1972 |
Rauk A, Allen LC, Mislow K. Electronic structure of PH5 and intramolecular ligand exchange in phosphoranes. Model studies Journal of the American Chemical Society. 94: 3035-3040. DOI: 10.1021/Ja00764A026 |
0.485 |
|
| 1972 |
Kollman PA, Allen LC. Theory of the hydrogen bond Chemical Reviews. 72: 283-303. DOI: 10.1021/Cr60277A004 |
0.528 |
|
| 1972 |
Allen LC. The shape of molecules Theoretica Chimica Acta. 24: 117-131. DOI: 10.1007/Bf00641393 |
0.381 |
|
| 1972 |
RAUK A, ALLEN LC, MISLOW K. ChemInform Abstract: ELEKTRONENSTRUKTUR VON PH5 UND INTRAMOLEKULARER LIGANDENAUSTAUSCH IN PHOSPHORANEN, MODELLUNTERSUCHUNGEN Chemischer Informationsdienst. 3: no-no. DOI: 10.1002/Chin.197230004 |
0.437 |
|
| 1972 |
LIEBMAN JF, ALLEN LC. ChemInform Abstract: EDELGAS-BOR-VERBINDUNGEN Chemischer Informationsdienst. 3. DOI: 10.1002/Chin.197229003 |
0.43 |
|
| 1971 |
Allen LC, Kollman PA. Theoretical evidence against the existence of polywater. Nature. 233: 550-1. PMID 16063494 DOI: 10.1038/233550A0 |
0.454 |
|
| 1971 |
Davidson RB, Allen LC. Rotational barriers in hydrogen peroxide The Journal of Chemical Physics. 55: 519-527. DOI: 10.1063/1.1675782 |
0.345 |
|
| 1971 |
Kollman PA, Allen LC. The nature of the hydrogen bond. Dimers involving electronegative atoms of the first row Journal of the American Chemical Society. 93: 4991-5000. DOI: 10.1021/Ja00749A002 |
0.537 |
|
| 1971 |
Allen LC, Jorgensen WL. Charge-density analysis of rotational barriers Journal of the American Chemical Society. 93: 567-574. DOI: 10.1021/Ja00732A001 |
0.421 |
|
| 1971 |
Allen LC, Kollman PA. What can theory say about the existence and properties of anomalous water? Journal of Colloid and Interface Science. 36: 469-482. DOI: 10.1016/0021-9797(71)90381-X |
0.375 |
|
| 1971 |
Liebman JF, Allen LC. Bonding in rare gas diatomic ions containing nitrogen or oxygen International Journal of Mass Spectrometry and Ion Physics. 7: 27-31. DOI: 10.1016/0020-7381(71)85027-1 |
0.503 |
|
| 1971 |
JORGENSEN WL, ALLEN LC. ChemInform Abstract: LADUNGSDICHTEANALYSE VON ROTATIONSBARRIEREN Chemischer Informationsdienst. Organische Chemie. 2: no-no. DOI: 10.1002/Chin.197117112 |
0.418 |
|
| 1970 |
Allen LC, Kollman PA. A theory of anomalous water. Science (New York, N.Y.). 167: 1443-54. PMID 17750335 DOI: 10.1126/Science.167.3924.1443 |
0.43 |
|
| 1970 |
Allen LC. A bonding model for anomalous water. Nature. 227: 372-3. PMID 16057963 DOI: 10.1038/227372A0 |
0.351 |
|
| 1970 |
Arents J, Allen LC. Ab initio study of the geometries, jahn-teller distortions, and electronic charge distribution in the CH4 + ion The Journal of Chemical Physics. 53: 73-78. DOI: 10.1063/1.1673835 |
0.306 |
|
| 1970 |
Rauk A, Allen LC, Clementi E. Electronic structure and inversion barrier of ammonia The Journal of Chemical Physics. 52: 4133-4144. DOI: 10.1063/1.1673621 |
0.355 |
|
| 1970 |
Dorothy Wong PAN, Fink WH, Allen LC. Theoretical predictions on the structures of diimide The Journal of Chemical Physics. 52: 6291-6298. DOI: 10.1063/1.1672939 |
0.35 |
|
| 1970 |
Kollman PA, Allen LC. Theory of the hydrogen bond: ab initio calculations on hydrogen fluoride dimer and the mixed water-hydrogen fluoride dimer The Journal of Chemical Physics. 52: 5085-5094. DOI: 10.1063/1.1672746 |
0.572 |
|
| 1970 |
Kollman PA, Allen LC. Theory of the strong hydrogen bond. Ab initio calculations on HF2- and H5O2+1a Journal of the American Chemical Society. 92: 6101-6107. DOI: 10.1021/Ja00724A001 |
0.526 |
|
| 1970 |
Allen LC, Kollman PA. Cyclic systems containing divalent hydroen symmetrically placed between sp2 hybridized electron-rich atoms. A new form of chemical bong? Journal of the American Chemical Society. 92: 4108-4110. DOI: 10.1021/Ja00716A050 |
0.478 |
|
| 1970 |
Williams JE, Buss V, Allen LC, Schleyer PvR, Lathan WA, Hehre WJ, Pople JA. Molecular orbital calculations on carbonium ions. III. Barriers in ethyl cations Journal of the American Chemical Society. 92: 2141-2143. DOI: 10.1021/Ja00710A062 |
0.482 |
|
| 1970 |
Schwartz ME, Allen LC. Ab initio studies of the electronic structures of BH3, BH2F, BHF2, and BF3 Journal of the American Chemical Society. 92: 1466-1471. DOI: 10.1021/Ja00709A003 |
0.316 |
|
| 1970 |
Kollman PA, Allen LC. Hydrogen bonded dimers and polymers involving hydrogen fluoride, water, and ammonia Journal of the American Chemical Society. 92: 753-759. DOI: 10.1021/Ja00707A002 |
0.522 |
|
| 1970 |
Davidson RB, Jorgensen WL, Allen LC. Structural and energetic predictions for simple hydrocarbons from the NDDO [neglect of diatomic differential overlap] and CNDO [complete neglect of differential overlap] semiempirical molecular orbital methods Journal of the American Chemical Society. 92: 749-753. DOI: 10.1021/Ja00707A001 |
0.442 |
|
| 1970 |
Jorgensen WL, Allen LC. Charge distribution characteristics of attractive dominant barriers Chemical Physics Letters. 7: 483-485. DOI: 10.1016/0009-2614(70)80153-1 |
0.493 |
|
| 1970 |
Kollman PA, Allen LC. The attractive rotational barrier in nitrosomethane Chemical Physics Letters. 5: 75-76. DOI: 10.1016/0009-2614(70)80005-7 |
0.306 |
|
| 1970 |
Kollman PA, Allen LC. An SCF partitioning scheme for the hydrogen bond Theoretica Chimica Acta. 18: 399-403. DOI: 10.1007/Bf00526460 |
0.38 |
|
| 1970 |
Williams JEJ, Buss V, Allen LC, Schleyer PVR, Lathan WA, Hehre WJ, Pople JA. Mo-Berechnungen An Carboniumionen 3. Mitt. Barrieren In Aethylkationen Cheminform. 1. DOI: 10.1002/Chin.197027155 |
0.416 |
|
| 1970 |
DAVIDSON RB, JORGENSEN WL, ALLEN LC. ChemInform Abstract: STRUKTUR- UND ENERGIE-VORAUSBERECHNUNGEN FUER EINFACHE KOHLENWASSERSTOFFE DURCH NDDO- UND CNDO-HALBEMPIRISCHE MO-METHODEN Chemischer Informationsdienst. Organische Chemie. 1: no-no. DOI: 10.1002/Chin.197019049 |
0.444 |
|
| 1970 |
Williams JE, Buss V, Allen LC, Schleyer PVR, Lathan WA, Hehre WJ, Pople JA. Barriers in ethyl cations [8] Journal of the American Chemical Society. 92: 2141-2143. |
0.487 |
|
| 1969 |
Kollman PA, Allen LC. Theory of the Hydrogen Bond: Electronic Structure and Properties of the Water Dimer Journal of Chemical Physics. 51: 3286-3293. DOI: 10.1063/1.1672509 |
0.572 |
|
| 1969 |
Pfeiffer GV, Allen LC. Electronic Structure and Geometry of NO2+ and NO2− The Journal of Chemical Physics. 51: 190-202. DOI: 10.1063/1.1671707 |
0.352 |
|
| 1969 |
Liebman JF, Allen LC. Possible argon compounds Journal of the Chemical Society D: Chemical Communications. 1355. DOI: 10.1039/C29690001355 |
0.442 |
|
| 1969 |
Harrison JF, Allen LC. The electronic structure of methylene Journal of the American Chemical Society. 91: 807-823. DOI: 10.1021/Ja01032A004 |
0.474 |
|
| 1969 |
Harrison JF, Allen LC. The electronic structure and molecular properties of boron hydride in its ground and excited states Journal of Molecular Spectroscopy. 29: 432-453. DOI: 10.1016/0022-2852(69)90120-9 |
0.342 |
|
| 1967 |
Fink WH, Allen LC. Origin of Rotational Barriers. II. Methylamine and Improved Wavefunctions for Hydrogen Peroxide Journal of Chemical Physics. 46: 2276-2284. DOI: 10.1063/1.1841032 |
0.368 |
|
| 1967 |
Fink WH, Allen LC. Origin of Rotational Barriers. I. Many‐Electron Molecular Orbital Wavefunctions for Ethane, Methyl Alcohol, and Hydrogen Peroxide Journal of Chemical Physics. 46: 2261-2275. DOI: 10.1063/1.1841031 |
0.338 |
|
| 1967 |
Pan DC, Allen LC. Electronic Structure and Geometry of Hydrogen Cyanide Journal of Chemical Physics. 46: 1797-1803. DOI: 10.1063/1.1840937 |
0.386 |
|
| 1967 |
Allen LC, Russell JD. Extended Hückel Theory and the Shape of Molecules Journal of Chemical Physics. 46: 1029-1037. DOI: 10.1063/1.1840764 |
0.331 |
|
| 1967 |
Fink WH, Pan DC, Allen LC. Internal Rotation Barriers for Hydrazine and Hydroxylamine from Ab Initio LCAO—MO—SCF Wavefunctions Journal of Chemical Physics. 47: 895-905. DOI: 10.1063/1.1712054 |
0.335 |
|
| 1966 |
Buenker RJ, Peyerimhoff SD, Allen LC, Whitten JL. Geometry of Molecules. II. Diborane and Ethane The Journal of Chemical Physics. 45: 2835-2847. DOI: 10.1063/1.1728036 |
0.35 |
|
| 1963 |
ALLEN LC. Binding of Xenon to Halogens, to Alkali Metals, and to Itself Nature. 197: 897-897. DOI: 10.1038/197897A0 |
0.347 |
|
| 1959 |
Karo AM, Allen LC. LCAO Wave Functions for Hydrogen Fluoride with Hartree‐Fock Atomic Orbitals Journal of Chemical Physics. 31: 968-977. DOI: 10.1063/1.1730559 |
0.367 |
|
| 1958 |
Karo AM, Allen LC. Configuration Interaction in the Hydrogen Fluoride Molecule1 Journal of the American Chemical Society. 80: 4496-4499. DOI: 10.1021/Ja01550A016 |
0.321 |
|
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