about
Theoretical approaches to x-ray absorption fine structureSpin-exchange optical pumping of noble-gas nucleiFeynman-Kac path-integral calculation of the ground-state energies of atomsExchange holes in inhomogeneous systems: A coordinate-space modelX-ray absorption near-edge structure calculations beyond the muffin-tin approximationIndividual orbital contribution to the electronic stopping cross section in the low-velocity regionA new mixing of Hartree–Fock and local density‐functional theoriesTransport of physisorbed Xe atoms on Ni(110) using a scanning tunneling microscope: A theoretical approach.Photocurrent effects in the scanning tunneling microscope.Theory of the scanning tunneling microscope: Xe on Ni and Al.Approach to surface structure determination with the scanning tunneling microscope: Multiple-gap imaging and electron-scattering quantum-chemistry theory.Reexamination of the structure of a laser-stabilized Si{111}1 x 1 surface.Formation and dynamics of van der Waals molecules in buffer-gas traps.Semilocal density functional obeying a strongly tightened bound for exchangeAbsolute cross-section measurements for electron-impact ionization of Cl+Contribution of electron-atom collisions to the plasma conductivity of noble gases.On the error in the nucleus-centered multipolar expansion of molecular electron density and its topology: A direct-space computational study.Topological characterization of electron density, electrostatic potential and intermolecular interactions of 2-nitroimidazole: an experimental and theoretical study.Charge density of the biologically active molecule (2-oxo-1,3-benzoxazol-3(2H)-yl)acetic acid.On the transferability of electron density in binary vanadium borides VB, V3B4 and VB2.Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. I. Coulomb and hybrid integrals.Compactness aromaticity of atoms in molecules.A charge density study of π-delocalization and intermolecular interactions.Quantum crystallography.Reassessment of the electron density in Cu2O using γ-ray diffraction.Isomorphism and solid solution as shown by an accurate high-resolution diffraction experiment.Atomic mean excitation energies for stopping powers from local plasma oscillator strengths.Quantum-mechanical predictions of electron-induced ionization cross sections of DNA components.Quantum defects at the critical charge.A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein.A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory.Exploring the Oxidative-Addition Pathways of Phenyl Chloride in the Presence of Pd(II) Abnormal N-Heterocyclic Carbene Complexes: A DFT Study.Atomic spectral methods for molecular electronic structure calculations.C-I...NC halogen bonding in two polymorphs of the mixed-valence 2:1 charge-transfer salt (EDT-TTF-I2)2(TCNQF4), with segregated versus alternated stacks.Dipole and quadrupole moments of molecules in crystals: a novel approach based on integration over Hirshfeld surfaces.Classical toy models for the monopole shift and the quadrupole shift.A confinement induced spectroscopic study of noble gas atoms using equation of motion architecture: Encapsulation within fullerene's voids.A Universal and Straightforward Approach to Include Penetration Effects in Electrostatic Interaction Energy Estimation.Relativistic diffusion Monte Carlo method: zeroth-order regular approximation-diffusion Monte Carlo method in a spin-free formalism.Is Hexachloro-cyclo-triphosphazene Aromatic? Evidence from Experimental Charge Density Analysis.
P2860
Q21563682-DDC637CE-8B56-473D-BFA4-6944969816D1Q21563908-4A525B38-B405-4595-B0A2-8649587A68BFQ21698959-C1A8CD32-EF9B-4C00-B62F-F37C5493D8AAQ27339601-2EDBE9C4-B683-4CB4-86C6-C5BFA5F9273EQ27350071-49AC5088-82EA-4007-8090-DB6D0DF65268Q27438351-2DC243BE-44F5-44B3-96C6-C3C981792EF4Q29399168-33EA072A-C11A-4B26-9AD6-9D69C0A6AFA1Q31213840-52F29FFC-E38D-41A3-8DD4-E53383A0D178Q31901443-6AB7A93D-6CFD-491E-B762-713D0A7FB984Q31906888-0CCFF44F-2738-4418-83DB-FBEBE8104AE1Q31907977-A2D943B1-3A58-434B-9673-E017FE0629E3Q31914938-7482BF29-8435-4F98-B68C-3626F2DF2846Q34205413-762191EC-40B1-467F-B28E-83AEB34511EAQ35031344-155E74ED-980F-4F91-9055-A46E4B421361Q36900373-304EACC3-767D-49B9-A3CA-21BCD69152BCQ38678668-989C3662-C599-4796-9D02-3BB043754B17Q38750507-D2A99202-A1B3-4BE6-AAEF-3C1D1C9E86F3Q39326654-5F30C6EF-1BA0-4840-97F6-934961066000Q40036732-11100F95-5F7A-4A22-83AD-9355A1850A09Q40244316-1ACC0CE8-B1DB-4794-A5FA-D5E2CA301FBBQ40251868-735C6303-5694-4B84-9EDD-A4D2D679C5A5Q40592031-9CC65BDD-231D-4411-96EB-F4AC96718000Q40955325-D506B9CF-A5F6-4B23-8F19-6205D7100C9DQ41559159-C2A10A97-4DBF-4156-82F2-4E1BF2B72EE0Q41756295-B1777C4E-454A-489F-92F6-AFFA27825D40Q41756301-06A6BA0D-097C-4532-A3CD-50864B1A0D5EQ44883399-487E44B5-37A5-445A-B5C3-C3D492A0A53EQ45806665-73EEADBC-CC07-43A3-A44D-6322AD20BF11Q45900783-0CDC5F28-07C1-4C4E-A636-66DEA7C563A1Q46076756-8197EDEB-18D7-4E04-AFEE-5D6FB879F5F4Q46193573-AE3E972B-32A4-4D31-9DA5-0D458F49AACEQ46475822-ABA35D92-5E72-4772-88DA-0367FADE8632Q46860872-2292E044-02E1-4301-BF73-B3A5621DEE3EQ46944449-DE7CAD46-95A9-4587-9998-1B43844055EEQ46959622-E15EC921-370F-4A42-9F7D-5334241F65B1Q47566679-2F443616-21AA-4D26-8A3C-507BC68FC009Q47755431-74E387FB-F5B5-43B6-8FBE-2D32AFAB47A3Q48042854-E3D9B892-DB4D-440D-A01B-4CC153B72F85Q49062554-9C8B4D76-3FD1-4449-BD2C-39F7CA527452Q50034826-E60F6342-8480-4382-9E42-C9D30310CCB7
P2860
description
1974 nî lūn-bûn
@nan
1974 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
1974 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
1974年の論文
@ja
1974年論文
@yue
1974年論文
@zh-hant
1974年論文
@zh-hk
1974年論文
@zh-mo
1974年論文
@zh-tw
1974年论文
@wuu
name
Roothaan-Hartree-Fock atomic wavefunctions
@ast
Roothaan-Hartree-Fock atomic wavefunctions
@en
type
label
Roothaan-Hartree-Fock atomic wavefunctions
@ast
Roothaan-Hartree-Fock atomic wavefunctions
@en
prefLabel
Roothaan-Hartree-Fock atomic wavefunctions
@ast
Roothaan-Hartree-Fock atomic wavefunctions
@en
P1476
Roothaan-Hartree-Fock atomic wavefunctions
@en
P2093
Carla Roetti
Enrico Clementi
P304
P356
10.1016/S0092-640X(74)80016-1
P577
1974-09-01T00:00:00Z