A. J. C. Varandas

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Pedro Jorge dos Santos Branco Carid...Universidade de CoimbraDirección de correo verificada de uc.pt
Breno GalvãoProfessor of Chemistry, CEFET-MGDirección de correo verificada de cefetmg.br
Sérgio Paulo Jorge RodriguesDepartamento de Química, Universidade de CoimbraDirección de correo verificada de ci.uc.pt
Kieran F LimDeakin UniversityDirección de correo verificada de research.deakin.edu.au
Luís P. ViegasCoimbra Chemistry Centre, University of CoimbraDirección de correo verificada de ci.uc.pt
Alexander AlijahUniversity of ReimsDirección de correo verificada de univ-reims.fr
Fernando N. N. PansiniUNIVERSIDADE FEDERAL DO ESPÍRITO SANTO, UFESDirección de correo verificada de ufes.br
Donald TruhlarUniversity of MinnesotaDirección de correo verificada de umn.edu
Satrajit AdhikariProfessor, Indian Association for the Cultivation of ScienceDirección de correo verificada de iacs.res.in
Luis QuintalesUniversidad de SalamancaDirección de correo verificada de usal.es
Sebastiao J. FormosinhoDepartment of Chemistry, University of CoimbraDirección de correo verificada de qui.uc.pt
Tanmoy MondalAssociate Professor, Chemistry Department, K L University, HyderabadDirección de correo verificada de klh.edu.in
Frederico Vasconcellos PrudenteInstituto de Física, Universidade Federal da BahiaDirección de correo verificada de ufba.br
Maikel Yusat Ballester FuronesProfessor of Physics (Assistant)Dirección de correo verificada de ufjf.edu.br
Yu-Zhi SongCollege of Physics and Electronic, Shandong Normal UniversityDirección de correo verificada de sdnu.edu.cn
Piotr PiecuchUniversity Distinguished Professor and MSU Research Foundation Professor, Michigan State UniversityDirección de correo verificada de chemistry.msu.edu
Jonathan TennysonUniversity College LondonDirección de correo verificada de ucl.ac.uk
Emilio Martinez-NunezProfessor of Physical ChemistryDirección de correo verificada de usc.gal
Stavros C FarantosDepartment of Chemistry, University of Crete and IESL/FORTHDirección de correo verificada de iesl.forth.gr
K. S. SorbieProfessor of Petroleum Engineering, Heriot-Watt University, EdinburghDirección de correo verificada de pet.hw.ac.uk

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A. J. C. Varandas

Universidade de Coimbra

Dirección de correo verificada de uc.pt


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
A double many‐body expansion of the two lowest‐energy potential surfaces and nonadiabatic coupling for H₃ AJC Varandas, FB Brown, CA Mead, DG Truhlar, NC Blais The Journal of Chemical Physics 86 (11), 6258-6269, 1987	475	1987
A general chemical dynamics computer program WL Hase, RJ Duchovic, X Hu, A Komornicki, KF Lim, D Lu, GH Peslherbe, ... Quantum Chem. Program Exch. Bull 16, 671, 1996	452	1996
Intermolecular and Intramolecular Potentials: Topographical Aspects, Calculation, and Functional Representation via A Double Many‐Body Expansion Method AJC Varandas Advances in Chemical Physics 74, 255-338, 1988	390	1988
Recalibration of a single-valued double many-body expansion potential energy surface for ground-state hydroperoxy and dynamics calculations for the oxygen atom+ hydroxyl … MR Pastrana, LAM Quintales, J Brandao, AJC Varandas Journal of Physical Chemistry 94 (21), 8073-8080, 1990	285	1990
The vENUS software package WL Hase, RJ Duchovic, X Hu, A Komornicki, KF Lim, DH Lu, ... Quantum Chemistry Program Exchange (QCPE) Bulletin 16, 671, 1996	262	1996
Predicting catalysis: understanding ammonia synthesis from first-principles calculations A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ... The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006	236	2006
Extrapolating to the one-electron basis-set limit in electronic structure calculations AJC Varandas The Journal of chemical physics 126 (24), 2007	202	2007
Basis-set extrapolation of the correlation energy AJC Varandas The Journal of Chemical Physics 113 (20), 8880-8887, 2000	188	2000
Energy switching approach to potential surfaces: An accurate single‐valued function for the water molecule AJC Varandas The Journal of chemical physics 105 (9), 3524-3531, 1996	161*	1996
Potential model for diatomic molecules including the united-atom limit and its use in a multiproperty fit for argon AJC Varandas, JD da Silva Journal of the Chemical Society, Faraday Transactions 88 (7), 941-954, 1992	158	1992
Excitation function for H+O₂ reaction: A study of zero‐point energy effects and rotational distributions in trajectory calculations AJC Varandas The Journal of chemical physics 99 (2), 1076-1085, 1993	146	1993
Quasiclassical trajectory calculations of the thermal rate coefficients for the reactions H(D)+O₂→OH(D)+O and O+OH(D)→O₂+H(D) as a function of temperature AJC Varandas, J Brandao, MR Pastrana The Journal of chemical physics 96 (7), 5137-5150, 1992	145	1992
A realistic double many-body expansion (DMBE) potential energy surface for ground-state O3 from a multiproperty fit to ab initio calculations, and to experimental spectroscopic … AJC Varandas, A Pais Molecular Physics 65 (4), 843-860, 1988	145	1988
A novel non-active model to account for the leak of zero-point energy in trajectory calculations. Application to H+ O2 reaction near threshold AJC Varandas Chemical physics letters 225 (1-3), 18-27, 1994	130	1994
A many-body expansion of polyatomic potential energy surfaces: application to H n systems AJC Varandas, JN Murrell Faraday Discussions of the Chemical Society 62, 92-109, 1977	130	1977
Use of scaled external correlation, a double many‐body expansion, and variational transition state theory to calibrate a potential energy surface for FH2 GC Lynch, R Steckler, DW Schwenke, AJC Varandas, DG Truhlar, ... The Journal of chemical physics 94 (11), 7136-7149, 1991	122	1991
A general approach to the potential energy functions of small polyatomic systems: Molecules and van der Waals molecules AJC Varandas Journal of Molecular Structure: THEOCHEM 120, 401-424, 1985	118	1985
Quantum mechanical valence study of a bond‐breaking–bond‐forming process in triatomic systems RF Nalewajski, SJ Formosinho, AÓJC Varandas, J Mrozek International journal of quantum chemistry 52 (5), 1153-1176, 1994	113	1994
A useful triangular plot of triatomic potential energy surfaces AJC Varandas Chemical physics letters 138 (5), 455-461, 1987	110	1987
Analytical potentials for triatomic molecules: IX. The prediction of anharmonic force constants from potential energy surfaces based on harmonic force fields and dissociation … S Carter, IM Mills, JN Murrell, AJC Varandas Molecular Physics 45 (5), 1053-1066, 1982	109	1982

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