Published 2013 | Version v1
Book

Proceedings of the DAE-BRNS symposium on current trends in theoretical chemistry

Description

The topics covered in the symposium include theoretical formalisms and simulation strategies, electronic structure and spectroscopy of atoms, molecules, clusters, nanomaterials and solids, theoretical chemical dynamics, reactivity and catalysis, and also theoretical design of molecules and materials pertaining to energy storage and nuclear waste management. Papers relevant to INIS are indexed separately. (author)

Additional details

Publishing Information

Publisher
Bhabha Atomic Research Centre
Imprint Place
Mumbai (India)
Imprint Pagination
219 p.

Conference

Title
DAE-BRNS symposium on current trends in theoretical chemistry
Acronym
CTTC-2013
Dates
26-28 Sep 2013
Place
Mumbai (India)

INIS

Country of Publication
India
Country of Input or Organization
India
INIS RN
45077797
Subject category
S36: MATERIALS SCIENCE;
Resource subtype / Literary indicator
Conference
Is Lead record
Yes
Descriptors DEI
DENSITY FUNCTIONAL METHOD; ENTHALPY; LATTICE PARAMETERS; LEADING ABSTRACT; MEETINGS; ZIRCONIUM OXIDES
Descriptors DEC
ABSTRACTS; CALCULATION METHODS; CHALCOGENIDES; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS; VARIATIONAL METHODS; ZIRCONIUM COMPOUNDS