Appraisal of molecular tailoring approach for large clusters

Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules

(2012) Nicholas J. Mayhall et al.   Journal of Chemical Theory and Computation

Ab Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the First 2A″ Electronic State of NO2

(2012) V. C. Mota et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural Stability and Electronic Properties of CdS Condensed Clusters

(2012) S. Karthikeyan et al.   Journal of Physical Chemistry C

Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring

(2012) Jonathan P. Furtado et al.   Journal of Physical Chemistry Letters

Pinning Down the Water Hexamer

(2012) R. J. Saykally et al.   SCIENCE

Molecular cluster building algorithm: Electrostatic guidelines and molecular tailoring approach

(2011) Sachin D. Yeole et al.   JOURNAL OF CHEMICAL PHYSICS

Interaction energies of large clusters from many-body expansion

(2011) Urszula Góra et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient and Accurate Methods for the Geometry Optimization of Water Clusters: Application of Analytic Gradients for the Two-Body:Many-Body QM:QM Fragmentation Method to (H2O)n,n= 3–10

(2011) Desiree M. Bates et al.   Journal of Chemical Theory and Computation

On the applicability of fragmentation methods to conjugated π systems within density functional framework

(2010) Sachin D. Yeole et al.   JOURNAL OF CHEMICAL PHYSICS

Ab initio investigation of benzene clusters: Molecular tailoring approach

(2010) A. Subha Mahadevi et al.   JOURNAL OF CHEMICAL PHYSICS

Nitrous oxide dimer: A new potential energy surface and rovibrational spectrum of the nonpolar isomer

(2010) Richard Dawes et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular tailoring approach in conjunction with MP2 and Ri-MP2 codes: A comparison with fragment molecular orbital method

(2010) Anuja P. Rahalkar et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Low-Lying Structures and Stabilities of Large Water Clusters: Investigation Based on the Combination of the AMOEBA Potential and Generalized Energy-Based Fragmentation Approach

(2010) Zhen Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Spectroscopic identification of carbon dioxide clusters: (CO2)6to (CO2)13

(2010) J. Norooz Oliaee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MeTA studio: A cross platform, programmable IDE for computational chemist

(2008) V. Ganesh   JOURNAL OF COMPUTATIONAL CHEMISTRY