Title	Publication Date	Language	Citations
A fifth-order perturbation comparison of electron correlation theories	1989/05/01	English	404
Band gap variation of size-controlled ZnO quantum dots synthesized by sol–gel method	2005/06/01	English	403
Calculation of NMR chemical shifts at second-order many-body perturbation theory using gauge-including atomic orbitals	1992/04/01	English	402
An improved potential for non-rigid water molecules in the liquid phase	1983/06/01	English	400
A new method for large-scale Cl calculations	1972/08/01	English	398
On the origin of a low-lying forbidden transition in polyenes and related molecules	1972/06/01	English	398
The rigorous derivation of Young, Cassie–Baxter and Wenzel equations and the analysis of the contact angle hysteresis phenomenon	2008/01/01	English	394
Adiabatic and diabatic representations for atom-molecule collisions: Treatment of the collinear arrangement	1975/08/01	English	394
Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory	1996/04/01	English	385
Frequency-switched pulse sequences: Homonuclear decoupling and dilute spin NMR in solids	1989/03/01	English	379
Isothermal molecular dynamics calculations for liquid salts	1971/08/01	English	378
A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations	2006/07/01	English	378
Quantum cascade lasers in chemical physics	2010/02/01	English	371
Thermal stability of graphite oxide	2009/03/01	English	371
Electron-electron double resonance in electron spin echo: Model biradical systems and the sensitized photolysis of decalin	1984/09/01	English	370
Charge transfer interactions and nonlinear optical properties of push–pull chromophore benzaldehyde phenylhydrazone: A vibrational approach	2008/07/01	English	369
Enhancement of CO detection in Al doped graphene	2008/08/01	English	368
Growth of aligned ZnO nanorod arrays by catalyst-free pulsed laser deposition methods	2004/09/01	English	364
The study of carbon nanotubules produced by catalytic method	1994/06/01	English	362
Photochemistry of semiconductor colloids. Preparation of extremely small ZnO particles, fluorescence phenomena and size quantization effects	1985/12/01	English	361
Structure of water; A Monte Carlo calculation	1969/03/01	English	360
Ups of buckminsterfullerene and other large clusters of carbon	1987/08/01	English	360
Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur	2010/06/01	English	359
Frozen fragment reduced variational space analysis of hydrogen bonding interactions. Application to the water dimer	1987/08/01	English	359
Aggregate fluorescence in conjugated polymers	1995/06/01	English	358
The electronic structures of biradicals in the unrestricted Hartree-Fock approximation	1975/06/01	English	358
Rheological behaviour of ethylene glycol based titania nanofluids	2007/08/01	English	357
Self-guided Langevin dynamics simulation method	2003/11/01	English	355
Gas-phase 13C chemical shifts in the zero-pressure limit: refinements to the absolute shielding scale for 13C	1987/03/01	English	353
Nuclear second analytical derivative calculations using auxiliary basis set expansions	2004/01/01	English	353