Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices (Lecture Notes in Chemistry, 110) free ebook download.

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Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices (Lecture Notes in Chemistry, 110) free ebook download

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Chemistry

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Author(s):	Samantha Jenkins

Date:	2021	Format:	pdf	Language:	English	ISBN/ASIN:	9819903289
Pages:	238	OCR:		Quality:		ISBN13:
Uploader:	alex21s	Upload Date:	8/26/2023 11:05:48 PM

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This book begins by providing a simplified version of the computational quantum chemistry sufficient to calculate the wavefunctions that are the basic input of NG-QTAIM. Enough basic (scalar) QTAIM theory is provided to understand the later chapters. In addition, our developments of scalar QTAIM are presented and activities at various levels of difficulty are provided for the readership to facilitate understanding.
The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences of the developments of Next-Generation QTAIM (NG-QTAIM) that is a 3-D vector-based realization of QTAIM. The book compiles all developments and extensions of Next-Generation QTAIM in one place for easy reference for those engaged in theoretical/computational chemistry. Essential insights into molecular switch functioning not available from the energy barrier or any scalar measures are presented along with a new measure to assess the efficiency of rotary molecular motors. The book also discusses how the treatment of external forces such as electric fields and laser irradiation is included in NG-QTAIM. This book benefits theoretical/computational chemists/physics/engineers, students (graduate and undergraduate) and chemical/pharmaceutical industry researchers who carry out chemical computations in universities and industries.
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	Title	Link	Password	Size (MB)	Thank to	Inform Admin
3198362	Book	https://nitroflare.com/view/256AAB2FDCFC...		0.00	alex21s

Tags: Atoms Devices Generation Molecular Molecules Next Photochemistry Quantum Stereochemistry Theory

Title	Link	Password	Size	Reason

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