User profiles for J A Montgomery
John MontgomeryUniversity of Connecticut Verified email at phys.uconn.edu Cited by 155624 |
General atomic and molecular electronic structure system
…, M Dupuis, JA Montgomery Jr - Journal of …, 1993 - Wiley Online Library
A description of the ab initio quantum chemistry package GAMESS is presented. Chemical
systems containing atoms through radon can be treated with wave functions ranging from the …
systems containing atoms through radon can be treated with wave functions ranging from the …
A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
JA Montgomery Jr, MJ Frisch, JW Ochterski… - The Journal of …, 1999 - pubs.aip.org
The recently introduced complete basis set, CBS-Q, model chemistry is modified to use B3LYP
hybrid density functional geometries and frequencies, which give both improved reliability …
hybrid density functional geometries and frequencies, which give both improved reliability …
Treatment of mild hypertension study: final results
…, E Anzelone, D Gunn, A George, JA Montgomery… - Jama, 1993 - jamanetwork.com
… Wolf H, Warren JW, Rautaharju PM, Milliken JA, Smith ER, Cuddy TE. An electrocardiographic
… Lehtanen JA. The effect of acebutolol on plasma lipids, blood glucose and serum insulin …
… Lehtanen JA. The effect of acebutolol on plasma lipids, blood glucose and serum insulin …
A complete basis set model chemistry. VII. Use of the minimum population localization method
JA Montgomery Jr, MJ Frisch, JW Ochterski… - The Journal of …, 2000 - pubs.aip.org
It is shown that localization is necessary to preserve size consistency in nonlinear
extrapolations of molecular energies. We demonstrate that the unphysical behavior of Mulliken …
extrapolations of molecular energies. We demonstrate that the unphysical behavior of Mulliken …
A complete basis set model chemistry. V. Extensions to six or more heavy atoms
…, GA Petersson, JA Montgomery Jr - The Journal of chemical …, 1996 - pubs.aip.org
The major source of error in most ab initio calculations of molecular energies is the truncation
of the one‐electron basis set. Extrapolation to the complete basis set second‐order (CBS2) …
of the one‐electron basis set. Extrapolation to the complete basis set second‐order (CBS2) …
Combining quantum mechanics methods with molecular mechanics methods in ONIOM
…, S Dapprich, JA Montgomery Jr… - Journal of chemical …, 2006 - ACS Publications
The purpose of this paper is 2-fold. First, we present several extensions to the ONIOM(QM:MM)
scheme. In its original formulation, the electrostatic interaction between the regions is …
scheme. In its original formulation, the electrostatic interaction between the regions is …
A complete basis set model chemistry. IV. An improved atomic pair natural orbital method
JA Montgomery Jr, JW Ochterski… - The Journal of chemical …, 1994 - pubs.aip.org
An improved complete basis set‐quadratic configuration interaction/atomic pair natural
orbital (CBS‐QCI/APNO) model is described in this paper. It provides chemical energy …
orbital (CBS‐QCI/APNO) model is described in this paper. It provides chemical energy …
A complete basis set model chemistry. III. The complete basis set‐quadratic configuration interaction family of methods
…, TG Tensfeldt, JA Montgomery Jr - The Journal of chemical …, 1991 - pubs.aip.org
The major source of error in most ab initio calculations of molecular energies is the
truncation of the one‐electron basis set. A family of complete basis set (CBS) quadratic CI (QCI) …
truncation of the one‐electron basis set. A family of complete basis set (CBS) quadratic CI (QCI) …
Multi-ethnic genome-wide association study for atrial fibrillation
…, O Melander, S Mohanty, JA Montgomery… - Nature …, 2018 - nature.com
Atrial fibrillation (AF) affects more than 33 million individuals worldwide 1 and has a complex
heritability 2 . We conducted the largest meta-analysis of genome-wide association studies (…
heritability 2 . We conducted the largest meta-analysis of genome-wide association studies (…
BCX-1812 (RWJ-270201): discovery of a novel, highly potent, orally active, and selective influenza neuraminidase inhibitor through structure-based drug design
…, LSL Horn, GW Laver, JA Montgomery - Journal of medicinal …, 2000 - ACS Publications
Introduction. Influenza remains the major cause of mortality and morbidity among respiratory
diseases. 1, 2 Until very recently, there were only two options available to reduce the impact …
diseases. 1, 2 Until very recently, there were only two options available to reduce the impact …