Search Results - "Binkley, J. Stephen"

Collaboration in Emergency Care by Williams, Darleen A., Binkley, Stephen J.

“…[...]of your role-registered nurse, physician, or advanced practice registered nurse-everything we do for our patients depends on support from many other…”
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Assessing and improving the effectiveness of National Research Laboratories by Jordan, G.B., Streit, L.D., Binkley, J.S.

“…This paper presents initial work at two U.S. Department of Energy (DOE) national laboratories to develop a process for assessing and improving the…”
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Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements by Gordon, Mark S, Binkley, J. Stephen, Pople, John A, Pietro, William J, Hehre, Warren J

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Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements by Binkley, J. Stephen, Pople, John A, Hehre, Warren J

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Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl) by Pople, John A, Luke, Brian T, Frisch, Michael J, Binkley, J. Stephen

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Effect of electron correlation on theoretical equilibrium geometries by DeFrees, Douglas J, Levi, Beverly A, Pollack, Steven K, Hehre, Warren J, Binkley, J. Stephen, Pople, John A

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Quantum chemical studies of a model for peptide bond formation: formation of formamide and water from ammonia and formic acid by Oie, Tetsuro, Loew, Gilda H, Burt, Stanley K, Binkley, J. Stephen, MacElroy, Robert D

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Molecular orbital theory of the electronic structure of molecules. 38. Flexible olefins preferring nonplanar puckered structures by Wagner, Hans Ulrich, Szeimies, Guenter, Chandrasekhar, Jayaraman, Schleyer, Paul V. R, Pople, John A, Binkley, J. Stephen

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Comprehensive theoretical study of isomers and rearrangement barriers of even-electron polyatomic molecules HmABHn (A, B = carbon, nitrogen, oxygen, and fluorine) by Pople, John A, Raghavachari, Krishnan, Frisch, Michael J, Binkley, J. Stephen, Schleyer, Paul V. R

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The dream lab by Jordan, G.B., Streit, L.D., Binkley, J.S.

“…Increasingly, there is concern that the environment for conducting excellent research is deteriorating within the United States' large public research…”
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Thermal decomposition of silane by Gordon, Mark S, Gano, David R, Binkley, J. Stephen, Frisch, Michael J

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The quantum mechanical calculation of rotational spectra. A comparison of methods for C2H2, HCN, HNC, HCO+, N2H+, CO and N2. Predictions for HCNH+, COH+, HBO, HBNH, and HBF by DeFrees, D J, Binkley, J S, McLean, A D

“…Rotational frequencies determined with ab initio molecular orbital theory can play an important role in guiding spectroscopic searches for new molecules and in…”
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Molecular orbital theory of the electronic structure of molecules. 34. Structures and energies of small compounds containing lithium or beryllium. Ionic, multicenter, and coordinate bonding by Dill, James D, Schleyer, Paul v. R, Binkley, J. Stephen, Pople, John A

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Molecular orbital theory of the electronic structure of molecules. 30. Structure and energy of the phenyl cation by Dill, James D, Schleyer, Paul v. R, Binkley, J. Stephen, Seeger, Rolf, Pople, John A, Haselbach, Edwin

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Additions and Corrections - Effect of Electron Correlation on Theoretical Equilibrium Geometries by DeFrees, Douglas, Levi, Beverly, Pollack, Steven, Hehre, Warren, Binkley, J. Stephen, Pople, J.

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Theoretical study of the structure and spectroscopic characteristics of protonated carbon dioxide by Frisch, Michael J, Schaefer, Henry F, Binkley, J. Stephen

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Analytic evaluation of infrared intensities and polarizabilities by two-configuration self-consistent field wave functions by Yamaguchi, Yukio, Frisch, Michael J., Lee, Timothy J., Schaefer, Henry F., Binkley, J. Stephen

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Dimerization energy of borane by Page, Michael, Adams, George F, Binkley, J. Stephen, Melius, Carl F

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Molecular orbital theory of the electronic structure of molecules. 29. The interaction of molecular hydrogen with simple Lewis acids by Collins, John B, Schleyer, Paul v. R, Binkley, J. Stephen, Pople, John A, Radom, Leo

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Vibrational frequencies of the cyanocarbene (HCCN) molecule. A near degeneracy between bent cyanocarbene and linear allene-related geometries by Kim, Kwang S, Schaefer, Henry F, Radom, Leo, Pople, John A, Binkley, J. Stephen

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