Patrizia Calaminici

Dikutip oleh

	Semua	Sejak 2020
Kutipan	4089	1528
indeks-h	33	20
indeks-i10	83	43

360

180

270

199819992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021202220232024202511 19 38 37 48 52 65 67 99 102 101 124 128 130 143 187 118 264 262 188 180 171 198 323 216 359 332 99

Akses publik

Lihat semua

6 artikel

7 artikel

tersedia

tidak tersedia

Berdasarkan pada mandat pendanaan

Pengarang bersama

Dennis R. SalahubProfessor Emeritus of Chemistry, University of CalgaryEmail yang diverifikasi di ucalgary.ca
Gerald GeudtnerEmail yang diverifikasi di cinvestav.mx
José Manuel Vásquez-PérezUniversidad Autónoma del Estado de HidalgoEmail yang diverifikasi di uaeh.edu.mx
Roberto Flores-MorenoUniversidad de Guadalajara - Departamento de Quimica, MexicoEmail yang diverifikasi di academicos.udg.mx
VICTOR DANIEL DOMINGUEZ SORIAProfesor UAM-AEmail yang diverifikasi di azc.uam.mx
Nino RussoUniversità della CalabriaEmail yang diverifikasi di unical.it
Bernardo Antonio Zúñiga GutiérrezDepartamento de Química, Universidad de Guadalajara, México.Email yang diverifikasi di academicos.udg.mx
Heriberto Cruz-MartínezInstituto Tecnológico del Valle de Etla - TecNMEmail yang diverifikasi di itvalletla.edu.mx
Alberto VelaDepartment of Chemistry, Cinvestav, MexicoEmail yang diverifikasi di cinvestav.mx
Omar Solorza FeriaCINVESTAVEmail yang diverifikasi di cinvestav.mx
Luis López-SosaDepartamento de Química (Cinvestav)Email yang diverifikasi di uabc.edu.mx
Tzonka MinevaInstitut Charles Gerhardt Montpellier, UMR5253 CNRS/ENSCM/UMEmail yang diverifikasi di enscm.fr
Shiv N KhannaCommonwealth Professor, Virginia Commonwealth UniversityEmail yang diverifikasi di vcu.edu
Jorge M. del CampoFacultad de Química, UNAMEmail yang diverifikasi di unam.mx
Zeferino Gómez-SandovalUniversidad de ColimaEmail yang diverifikasi di ucol.mx
Aurelio Álvarez-IbarraEmail yang diverifikasi di cinvestav.mx
Daniel Mejia-RodriguezPNNL; University of Florida; CinvestavEmail yang diverifikasi di pnnl.gov
Jiří HostašAssistant Research OfficerEmail yang diverifikasi di nrc-cnrc.gc.ca
Alain TchagangSenior Research Scientist, National Research Council, CanadaEmail yang diverifikasi di nrc-cnrc.gc.ca
Maicon Pierre LourençoAdjunct professor, Universidade Federal do Espírito SantoEmail yang diverifikasi di ufes.br

Ikuti

Patrizia Calaminici

Chemistry Department, Cinvestav, MEXICO

Email yang diverifikasi di cinvestav.mx - Beranda

Auxiliary DFT Constrained minimization and TS search QMMM 2nd energy derivatives


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems P Calaminici, F Janetzko, AM Köster, R Mejia-Olvera, B Zuniga-Gutierrez The journal of chemical physics 126 (4), 2007	319	2007
Structure and stability of small copper clusters K Jug, B Zimmermann, P Calaminici, AM Köster The Journal of chemical physics 116 (11), 4497-4507, 2002	282	2002
DeMon2k G Geudtner, P Calaminici, J Carmona‐Espíndola, JM del Campo, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (4), 548-555, 2012	214	2012
A density functional study of small copper clusters Cun (n≤5) AM Calaminici, Patriza, Köster, N Russo, DR Salahub J. Chem. Phys 105, 9546, 1996	206	1996
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022	191	2022
Density functional calculations of molecular polarizabilities and hyperpolarizabilities P Calaminici, K Jug, AM Köster The Journal of chemical physics 109 (18), 7756-7763, 1998	157	1998
DeMon2K, Version 3 AM Koster, G Geudtner, P Calaminici, ME Casida, VD Dominguez, ... The deMon Developers, Cinvestav: Mexico City, Mexico, 2011	121	2011
Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystals H Reis, MG Papadopoulos, P Calaminici, K Jug, AM Köster Chemical Physics 261 (3), 359-371, 2000	107	2000
On the Ground State of Pd₁₃ AM Köster, P Calaminici, E Orgaz, DR Roy, JU Reveles, SN Khanna Journal of the American Chemical Society 133 (31), 12192-12196, 2011	85	2011
Comparison of static polarizabilities of and clusters P Calaminici, AM Köster, A Vela, K Jug The Journal of Chemical Physics 113 (6), 2199-2202, 2000	85	2000
Electronic and vibrational polarizabilities and hyperpolarizabilities of azoles: a comparative study of the structure− polarization relationship K Jug, S Chiodo, P Calaminici, A Avramopoulos, MG Papadopoulos The Journal of Physical Chemistry A 107 (20), 4172-4183, 2003	73	2003
Static polarizabilities of clusters: An all-electron density functional study P Calaminici, K Jug, AM Köster The Journal of chemical physics 111 (10), 4613-4620, 1999	72	1999
Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (n⩽ 5) clusters G López Arvizu, P Calaminici The Journal of chemical physics 126 (19), 2007	67	2007
Structure and vibrations from density functional theory, Franck–Condon factors, and the pulsed-field ionization zero-electron-kinetic energy spectrum P Calaminici, AM Köster, T Carrington Jr, PN Roy, N Russo, DR Salahub The Journal of Chemical Physics 114 (9), 4036-4044, 2001	65	2001
Nature of Valence Transition and Spin Moment in Ag_nV⁺ Clusters VM Medel, AC Reber, V Chauhan, P Sen, AM Köster, P Calaminici, ... Journal of the American Chemical Society 136 (23), 8229-8236, 2014	61	2014
The discovery of unexpected isomers in sodium heptamers by Born–Oppenheimer molecular dynamics JM Vásquez-Pérez, GUG Martínez, AM Köster, P Calaminici The Journal of chemical physics 131 (12), 2009	53	2009
Molecular simulations with in-deMon2k QM/MM, a tutorial-review A de La Lande, A Alvarez-Ibarra, K Hasnaoui, F Cailliez, X Wu, T Mineva, ... Molecules 24 (9), 1653, 2019	52	2019
Parallelization of the deMon2k code G Geudtner, F Janetzko, AM Köster, A Vela, P Calaminici Journal of computational chemistry 27 (4), 483-490, 2006	52	2006
First-principle calculations of large fullerenes P Calaminici, G Geudtner, AM Köster Journal of Chemical Theory and Computation 5 (1), 29-32, 2009	51	2009
The deMon developers AM Köster, P Calaminici, ME Casida, R Flores-Moreno, G Geudtner, ... Cinvestav: Mexico City, 2006	51	2006

Sistem tidak dapat melakukan operasi ini. Coba lagi nanti.

Artikel 1–20

Kutipan per tahun

Kutipan duplikat

Kutipan yang digabung

Tambahkan pengarang bersamaPengarang bersama

Ikuti

Dikutip oleh

Pengarang bersama