Add to ORKGThis book focuses on the structure and reactivity of systems and phenomena. This book covers a wide range of subjects, including discussions on the following topics: DFT, particularly the functional and conceptual aspects, excited states, molecular electrostatic potentials, and intermolecular interactions, general theoretical aspects and application to molecules, clusters and solids, electronic stress, and electron affinity difference, the information theory and the virial theorem, new periodic tables, the role of the ionization potentia
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
The authors briefly describe some theoretical approaches to the problems of chemical binding and mol...
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...
The fundaments of the modern Density Functional Theory (DFT), its basic theorems, principles and met...
The fundaments of the modern Density Functional Theory (DFT), its basic theorems, principles and met...
Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computa...
Includes bibliographical references and index.Theoretical chemical dynamics: a tool in organic chemi...
Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...
This volume focuses on the use of quantum theory to understand and explain experiments in organic ch...
Recent applications of density functional theory base ab initio molecular dynamics in chemical relev...
This book elaborate the general chemistry. This book consists of 22 chapters. the first chapters is ...
Abstract. A brief perspective of the development of the density functional theory of chemical reacti...
This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of th...
Several applications of quantum mechanics and information theory to chemical reactivity problems are...
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
The authors briefly describe some theoretical approaches to the problems of chemical binding and mol...
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...
Density Functional Theory (or DFT for short) is a potent methodology useful for calculating and unde...
The fundaments of the modern Density Functional Theory (DFT), its basic theorems, principles and met...
The fundaments of the modern Density Functional Theory (DFT), its basic theorems, principles and met...
Mathematical Physics in Theoretical Chemistry deals with important topics in theoretical and computa...
Includes bibliographical references and index.Theoretical chemical dynamics: a tool in organic chemi...
Density functional theory (DFT) ranks as the most widely used quantum mechanical method and plays an...
This volume focuses on the use of quantum theory to understand and explain experiments in organic ch...
Recent applications of density functional theory base ab initio molecular dynamics in chemical relev...
This book elaborate the general chemistry. This book consists of 22 chapters. the first chapters is ...
Abstract. A brief perspective of the development of the density functional theory of chemical reacti...
This book is a contribution to the fast and broad Density Functional Theory (DFT) applications of th...
Several applications of quantum mechanics and information theory to chemical reactivity problems are...
Over recent decades, the increase in computational resources, coupled with the popularity of competi...
The authors briefly describe some theoretical approaches to the problems of chemical binding and mol...
Density Functional Theory (DFT) is a powerful technique for calculating and comprehending the molecu...