| 1619 - 1622 |
Triple excitation effects in coupled-cluster calculations of indirect spin-spin coupling constants
Auer AA, Gauss J |
| 1623 - 1625 |
Influence of the environment on the excited state deactivation in functionalized quinque-thienyls
Lanzani G, Cerullo G, De Silvestri S, Barbarella G, Sotgiu G |
| 1626 - 1634 |
Impact of electron-electron cusp on configuration interaction energies
Prendergast D, Nolan M, Filippi C, Fahy S, Greer JC |
| 1635 - 1649 |
Can optimized effective potentials be determined uniquely?
Hirata S, Ivanov S, Grabowski I, Bartlett RJ, Burke K, Talman JD |
| 1650 - 1660 |
A new separable potential operator for representing a chemical bond and other applications
Abarenkov IV, Tupitsyn II |
| 1661 - 1669 |
Ab initio simulation of charged slabs at constant chemical potential
Lozovoi AY, Alavi A, Kohanoff J, Lynden-Bell RM |
| 1670 - 1677 |
Moving adaptive grid methods for numerical solution of the time-dependent molecular Schrodinger equation in laser fields
Lu HZ, Bandrauk AD |
| 1678 - 1702 |
Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems
Tuckerman ME, Liu Y, Ciccotti G, Martyna GJ |
| 1703 - 1715 |
Ab initio Hartree-Fock study of electron transfer in organic molecules
Pati R, Karna SP |
| 1716 - 1733 |
Approximate accelerated stochastic simulation of chemically reacting systems
Gillespie DT |
| 1734 - 1741 |
193 nm photolysis of vinyl bromide: Nascent product distribution of the C2H3Br -> C2H2 (vinylidene) plus HBr channel
Liu DK, Letendre LT, Dai HL |
| 1742 - 1746 |
The gaseous reaction of vinyl radical with oxygen
Wang H, Wang BS, He Y, Kong FN |
| 1747 - 1756 |
Density functional study of the first-row transition-metal complexes M-CH2, M-CHF, and M-CF2
Dalmazio I, Duarte HA |
| 1757 - 1764 |
Vibrations of nitrous oxide: Matrix isolation Fourier transform infrared spectroscopy of twelve N2O isotopomers
Lapinski A, Spanget-Larsen J, Waluk J, Radziszewski JG |
| 1765 - 1768 |
Collisional decomposition of the sulfur hexaflouride anion (SF6-)
Champion RL, Dyakov IV, Peko BL, Wang YC |
| 1769 - 1776 |
Absorption and emission spectroscopy of matrix-isolated benzo[g,h,i]perylene: An experimental and theoretical study for astrochemical applications
Chillier X, Boulet P, Chermette H, Salama F, Weber J |
| 1777 - 1788 |
Measurement and theoretical simulation of the HCCO- anion photoelectron spectrum
Schafer-Bung B, Engels B, Taylor TR, Neumark DM, Botschwina P, Peric M |
| 1789 - 1794 |
Photoelectron spectroscopy of C3Si and C4Si2 anions
Davico GE, Schwartz RL, Lineberger WC |
| 1795 - 1803 |
Structure and energetics of the silicon carbide clusters SiC3 and Si2C2
Rintelman JM, Gordon MS |
| 1804 - 1816 |
The treatment of classically forbidden electronic transitions in semiclassical trajectory surface hopping calculations
Jasper AW, Hack MD, Truhlar DG |
| 1817 - 1827 |
A theoretical study of spectroscopy and predissociation dynamics in nitrosoalkanes
Toniolo A, Persico M |
| 1828 - 1842 |
Variational transition state theory and quasiclassical trajectory studies of the H-2+OH -> H+H2O reaction and some isotopic variants
Troya D, Lakin MJ, Schatz GC, Gonzalez M |
| 1843 - 1852 |
The effect of molecular orientation in collisions of OH with CO and N-2
van Beek MC, ter Meulen JJ |
| 1853 - 1866 |
A theorem for inhomogeneous systems: The generalization of the nucleation theorem
Bowles RK, Reguera D, Djikaev Y, Reiss H |
| 1867 - 1874 |
Control of thermal photoinduced electron transfer reactions in the activated and activationless regimes
Pollak E, Plimak L |
| 1875 - 1881 |
Photovoltage imaging of a single As-vacancy at a GaAs(110) surface: Evidence for electron trapping by a charged defect?
Aloni S, Nevo I, Haase G |
| 1882 - 1890 |
Reaction induced by a scanning tunneling microscope: Theory and application
Alavi S, Seideman T |
| 1891 - 1901 |
On the mechanism of laser-induced desorption-ionization of organic compounds from etched silicon and carbon surfaces
Alimpiev S, Nikiforov S, Karavanskii V, Minton T, Sunner J |
| 1902 - 1908 |
The transition from oxygen chemisorption to oxidation of ultra-thin Ni layers on Cu(111)
Domnick R, Held G, Witte P, Steinruck HP |
| 1909 - 1915 |
Vibrational mode analysis of isomorphous hydrogen-bonded guanidinium sulfonates with inelastic neutron scattering and density-functional theory
Pivovar AM, Ward MD, Yildirim T, Neumann DA |
| 1916 - 1927 |
Oxygen driven reconstruction dynamics of Ni(977) measured by time-lapse scanning tunneling microscopy
Pearl TP, Sibener SJ |
| 1928 - 1934 |
Molecular dynamics of interfaces in opposing fields
Toxvaerd S, Stecki J |
| 1935 - 1942 |
Evolution of functional model proteins
Blackburne BP, Hirst JD |
| 1943 - 1945 |
Influence of intermolecular interaction on the dynamics of good solvent-polymer solutions
Harnau L |
| 1946 - 1950 |
Anisotropic self-diffusion in the nematic phase of a thermotropic liquid crystal by H-1-spin-echo nuclear magnetic resonance
Dvinskikh SV, Furo I |
| 1951 - 1959 |
Casimir and pseudo-Casimir interactions in confined polyelectrolytes
Podgornik R, Dobnikar J |
| 1960 - 1969 |
Salt dependence of compression normal forces of quenched polyelectrolyte brushes
Tamashiro MN, Hernandez-Zapata E, Schorr PA, Balastre M, Tirrell M, Pincus P |
| 1970 - 1978 |
Surface induced ordering in thin film diblock copolymers: Tilted lamellar phases
Tsori Y, Andelman D |
| 1979 - 1979 |
Development of an efficient linear response approach to the Hilbert space multireference coupled-cluster theory (vol 114, pg 1981, 2001)
Shamasundar KR, Pal S |
