the potential energy surface of gaseous glycine determined years ago in the ab initio b3lyp/6-311++g** calculations is composed of thirteen stable conformers. we performed the ab initiomolecular orbital calculations as the starting point to carry out a force field and normal coordinatecalculation on the most stable conformer of non-zwitterionic glycine [conformer (i)]. thecalculations were carr...

Abstract The realization of fractional quantum chemistry is presented. Adopting the integro‐differential operators calculus arbitrary‐order, we develop a general framework for description nonlocal effects in complex electronic environments. After brief overview historical and fundamental aspects various classes Schrödinger equations are discussed pertinent controversies open problems around the...

((λ1λ2) ` n) [CT00]. ((λ1λ2, · · · , λm≤(n/2)) ` n) [CT00]. (1 ≤ Ii ≤ 3) [Tem02a]. (1 ≤ n ≤ 12) [GW06a]. (2 ≤ n ≤ 30) [FBBB06]. (2 ≤ n ≤ 7) [FTB04]. (2× 2) [YT03]. (m+ n = 2−−5) [GW06b]. (m,n ≤ 4) [PC09]. (n) [Tem02a]. (n,m ≤ 4) [FPC05]. (n = 0, 1, 2, 3, 4) [TCS08]. (n = 0−−2) [LWL08]. (n = 1−−10) [SLW07]. (n = 1−−26) [BFB08]. (n = 1−−3) [DZTZ05]. (n = 1−−4) [LLX03]. (n = 1−−5) [ZLL09a]. (n = 1...

Mathematical chemistry is a branch of theoretical chemistry for discussion and prediction of the molecular structure using mathematical methods without necessarily referring to quantum mechanics. In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. The Wiener Polarity index ...