About: Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules

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article by Donald Truhlar & C. Alden Mead published 3 September 2003 in Physical Review A

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rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована у вересні 2003 (uk) im September 2003 veröffentlichter wissenschaftlicher Artikel (de) article scientifique publié en 2003 (fr) article by Donald Truhlar & C. Alden Mead published 3 September 2003 in Physical Review A (en)
publication date	wds:Q57402228-5066C511-FA28-4081-9A38-E323B7C4862B
publication date	2003-09-03 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q57402228-F03F3471-C396-4756-9499-93B0D1C0837A
language of work or name	English
cites work	wds:Q57402228-20112322-8707-4DA7-A3DA-D7B12863C6DA wds:Q57402228-235B5052-205C-4AD0-8E00-F5D1131A10E1 wds:Q57402228-2AC546B0-D8A8-40A2-A4CE-D1B132FCC74C wds:Q57402228-D2F132E9-9428-4ADF-9B9D-74F67578ADA2
cites work	Zur Quantentheorie der Molekeln Direct diabatization of electronic states by the fourfold way. II. Dynamical correlation and rearrangement processes Properties of nonadiabatic couplings and the generalized Born–Oppenheimer approximation On the multidimensional surface intersection problem and classical trajectory surface hopping
author name string	wds:Q57402228-85359799-6AF0-4B5D-8003-ECA40C15D77A
author name string	C. Alden Mead
rdfs:label	Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (en) Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (nl)
skos:prefLabel	Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (en) Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (nl)
name	Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (en) Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (nl)
author	wds:Q57402228-64423DB6-4DE3-491B-A6D7-47E8C1E7AFBC
author	Donald Truhlar
title	wds:Q57402228-2B6A7312-933A-48B0-AD81-64FC1212210B
title	Relative likelihood of encountering conical intersections and avoided intersections on the potential energy surfaces of polyatomic molecules (en)
instance of	wds:Q57402228-E330E7A1-0B24-40FB-9011-B17A7079A51C
instance of	scholarly article
main subject	wds:Q57402228-2F4C0E38-633A-4E4C-BDEF-C8CDA4EE21AC
main subject	potential energy
published in	wds:Q57402228-CFC1107B-6B3B-4E0E-B97B-ECA06C0BE369
published in	Physical Review A
issue	wds:Q57402228-3498C3C4-0992-484A-8523-5E1EF32EDFCC
volume	wds:Q57402228-B8FAEF30-36D6-4A62-9991-EF96662C3C7B
issue	3
volume	68
DOI	wds:Q57402228-7D9D97B1-9222-4843-AF67-D6A1817226C1
DOI	http://dx.doi.org/10.1103/PHYSREVA.68.032501
DOI	10.1103/PHYSREVA.68.032501
ADS bibcode	wds:Q57402228-054994AE-90E4-4667-8CEF-DE490316067B
ADS bibcode	2003PhRvA..68c2501T
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57402228
is cites work of	Nonadiabatic effects in C-Br bond scission in the photodissociation of bromoacetyl chloride Born-Oppenheimer approximation and beyond for time-dependent electronic processes Understanding the dynamics behind the photoisomerization of a light-driven fluorene molecular rotary motor Overruling the energy gap law: fast triplet formation in 6-azauracil Non-adiabatic dynamics close to conical intersections and the surface hopping perspective Conical intersections and semiclassical trajectories: Comparison to accurate quantum dynamics and analyses of the trajectories Photochemistry in a dense manifold of electronic states: Photodissociation of CH2ClBr Full-dimensional potentials and state couplings and multidimensional tunneling calculations for the photodissociation of phenol Full-dimensional ground- and excited-state potential energy surfaces and state couplings for photodissociation of thioanisole. Non-adiabatic effects in thermochemistry, spectroscopy and kinetics: the general importance of all three Born-Oppenheimer breakdown corrections. Bond angle variations in XH3 [X = N, P, As, Sb, Bi]: the critical role of Rydberg orbitals exposed using a diabatic state model. Nonadiabatic excited-state dynamics of polar pi-systems and related model compounds of biological relevance. Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics. Conical intersection between the lowest spin-aligned Li3(A′4) potential-energy surfaces Canonical-ensemble state-averaged complete active space self-consistent field (SA-CASSCF) strategy for problems with more diabatic than adiabatic states: charge-bond resonance in monomethine cyanines. Full-dimensional multi-state simulation of the photodissociation of thioanisole. Conical Intersections Leading to Chemical Reactions in the Gas and Liquid Phases Dynamics of recombination via conical intersection in a semiconductor nanocrystal. Metal-organic charge transfer can produce biradical states and is mediated by conical intersections Optimal topological test for degeneracies of real Hamiltonians Comment on “Optical conversion of conical intersection to avoided crossing” by Y. Arasaki and K. Takatsuka, Phys. Chem. Chem. Phys., 2010, 12, 1239
is cites work of	wds:Q38284997-D54CD252-5C0E-470E-8C29-8B4C992BABB2 wds:Q48047213-8022F72B-658C-41A6-9663-44197071DF39 wds:Q40108474-CE615AE3-ADE0-48DF-B8DA-A157AA15707B wds:Q51873092-80B21ECA-CAB7-44F6-9FEF-7840BCAE5358 wds:Q57974375-8E496D93-786A-4513-909F-C77B5559EB5A wds:Q43115914-2BC66AC1-A080-48BA-810C-AF70690F4707 wds:Q37053569-2012014D-97D4-47A3-8F3D-5A815EEDD249 wds:Q57402191-24617440-3D6F-48B0-B26B-F41D0F3F80A5 wds:Q33264707-00DCDE6F-8DF4-498E-A3F5-A673F9575137 wds:Q57401928-8AE9DFAE-3D7F-42BB-9597-2E91FB2E635C wds:Q57401979-CB5D14DB-CBE8-483B-9B26-17BB8B54A1CB wds:Q48769535-DBCA6D39-17BD-489F-ACED-8FB665F61485 wds:Q59043407-57A01149-6F6D-4BC8-B613-D212126D7786 wds:Q50217945-B2E51A1C-4152-45BC-BEB5-040F1866194E wds:Q55011599-152507A6-74C7-4FD0-9249-D30562042D46 wds:Q34320556-BC1CAE69-4898-4F3C-9C59-A31A88439E72 wds:Q48056749-F868652F-AA66-4F8F-BBB8-47D0A2D4EBA3 wds:Q76396676-F9BBE892-BDD9-4F13-AD2A-51469D7113C5 wds:Q42948779-A7945734-AAD8-40F0-A2B4-06EC6222FE2A wds:Q57402035-3019831F-C57E-4D76-BFE8-A01CFDCD5379 wds:Q50880604-44FF642A-4E7D-42E8-AD0E-B11143F34F2E

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