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"This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “structural chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals."

"This volume focuses on the association/dissociation of ion pairs in binary solvent mixtures, application of graph theory to determine the all possible structures and temperature-dependent distribution of water cluster, generalized-ensemble algorithms for the complex molecular simulation, QM/MD based investigation of formation of different nanostructures under nonequilibrium conditions, quantum mechanical study of chemical reactivity of carbon nanotube, covalent functionalization of single walled-carbon nanotube, designing of functional materials, importance of long-range dispersion interaction to study nanomaterials, recent advances in QSPR/QSAR analysis of nitrocompounds, prediction of physico-chemical properties of energetic materials, electronic structure and properties of 3d transition metal dimers, the s-bond activation reactions by transition metal complexes, theoretical modeling of environmental mercury depletion reaction, organolithium chemistry and computational modeling of low-energy electron induced DNA damage."

"Deposit porfiri dan skarn Grasberg-Ertsberg merupakan deposit penghasil tembaga dan emas yang terbentuk pada tatanan tektonik subduksi antara lempeng Australia dan lempeng Pasifik. Penelitian ini bertujuan untuk menentukan jenis batuan beku yang mengintrusi deposit ini, jenis alterasi yang terbentuk akibat intrusi dan proses hidrotermal, mineralisasi bijih, dan tipe urat yang terdapat di deposit ini. Batuan beku yang mengintrusi di daerah Grasberg-Ertsberg berkomposisi dioritik. Analisis petrologi dan petrografi menunjukkan bahwa batuan beku intrusi daerah penelitian terbagi menjadi tiga berdasarkan komposisi dan tekstur mineral yaitu diorite free biotite, biotite bearing diorite, dan diorit kuarsa. Terdapat empat jenis alterasi yang terbentuk di deposit porfiri Grasberg, yaitu zona alterasi biotit sekunder-serisit, zona alterasi serisit-kuarsa, zona alterasi epidot-klorit-serisit, dan zona alterasi biotit sekunder-klorit-serisit. Zona alterasi dan metamorfisme yang terbentuk di deposit skarn dibagi menjadi lima, yaitu zona alterasi epidot-klorit- serisit, zona kalsit / marmer, zona serpentin-kalsit, zona alterasi garnek-klinopiroksen-kalsit (endoskarn), dan zona alterasi magnetit-kalkopirit-pirit (eksoskarn). Mineral bijih yang ditemukan di deposit porfiri adalah magnetit, kalkopirit, bornit, kovelit, dan pirit sedangkan mineral bijih pada deposit skarn terdiri dari magnetit, kalkopirit, dan pirit. Tipe urat yang dijumpai di deposit porfiri Grasberg-Ertsberg adalah tipe urat kuarsa, urat kuarsa-anhidrit, urat kuarsa-mineral sulfida, dan urat magnetit"