Title	Publication Date	Language	Citations
Excited States of H2O using improved virtual orbitals	1969/06/01	English	527
Excited state proton-transfer spectroscopy of 3-hydroxyflavone and quercetin	1979/12/01	English	519
Onion-like carbon from ultra-disperse diamond	1994/05/01	English	510
A polarizable model of water for molecular dynamics simulations of biomolecules	2006/01/01	English	499
Non-empirical molecular orbital calculations on the protonation of carbon monoxide	1969/03/01	English	498
An extended rism equation for molecular polar fluids	1981/10/01	English	494
Molecular dynamics of liquid n-butane near its boiling point	1975/01/01	English	491
Discrete variable representations and sudden models in quantum scattering theory	1982/07/01	English	488
Electronic structure and bonding in icosahedral C60	1986/04/01	English	486
Size consistency in the dilute helium gas electronic structure	1977/12/01	English	485
Application of a generating function to reaction kinetics in micelles. Kinetics of quenching of luminescent probes in micelles	1975/06/01	English	479
Rotational resonance in solid state NMR	1988/04/01	English	475
Hyperfine sublevel correlation (hyscore) spectroscopy: a 2D ESR investigation of the squaric acid radical	1986/12/01	English	473
Multiple exciton generation in semiconductor quantum dots	2008/05/01	English	472
Extended dipole model for aggregates of dye molecules	1970/08/01	English	462
The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory	2005/02/01	English	454
Bilinear rotation decoupling of homonuclear scalar interactions	1982/12/01	English	453
Accelerating effects of colloidal nano-silica for beneficial calcium–silicate–hydrate formation in cement	2004/07/01	English	453
Stochastic boundary conditions for molecular dynamics simulations of ST2 water	1984/03/01	English	449
Size-consistent Brueckner theory limited to double substitutions	1989/12/01	English	443
Growth of vertically aligned single-walled carbon nanotube films on quartz substrates and their optical anisotropy	2004/02/01	English	439
Efficient visible light-sensitive photocatalysts: Grafting Cu(II) ions onto TiO2 and WO3 photocatalysts	2008/05/01	English	438
Visible-light-driven photocatalysis on fluorine-doped TiO2 powders by the creation of surface oxygen vacancies	2005/01/01	English	434
Preparation and UV / visible spectra of fullerenes C60 and C70	1991/03/01	English	427
Dielectric spectra of some common solvents in the microwave region. Water and lower alcohols	1990/01/01	English	417
Quantum annealing: A new method for minimizing multidimensional functions	1994/03/01	English	415
Repulsion of interfaces due to boundary water	1976/08/01	English	408
Initiation of explicitly correlated Slater-type geminal theory	2004/11/01	English	407
A standard grid for density functional calculations	1993/07/01	English	406
Simultaneous analysis of multiple fluorescence decay curves: A global approach	1983/12/01	English	405